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CHEMPAC1 Version 1.10 The first in a series of chemistry programs for MS-DOS computers by John R. Duchek Ph.D. Duchek Computer Services P.O. Box 25006 St. Louis, MO 63125 (314)-544-1843 Copyright 1990-91 USER SUPPORTED PROGRAMS TABLE OF CONTENTS Shareware Information........................................2 The CHEMPAC series...........................................3 Future Products..............................................4 Additional Programs in registered version....................4 Using Periodic chart.........................................5 Using Molecular weight.(registered version)..................7 Using Formula (registered version)...........................8 Using Element handling (registered version)..................9 About the Author............................................10 Warranty....................................................10 Disclaimer..................................................10 Registration form...........................................11 SHAREWARE INFORMATION: If you find this periodic table system to be of value to you, you are Asked to pay its author $25.00. This documentation is available in pamphlet form for an additional $5.00. Send your money to: John R. Duchek Duchek Computer Services P. O. Box 25006 St. Louis, MO 63125 For this $25.00 you become a registered user. This enables me to send you information on updates or improvements in the software. In addition your contribution entitles you to the most current version of the software. You are free to make copies of the shareware version of the program (but not of the registered version). You are encouraged to share the shareware version with friends, bulletin boards and software clubs. Normal shareware distributors can charge a reasonable fee for their diskcopying and distribution services (up to $5.00). If you have been using CHEMPAC1 for over 2 months, honesty requires that you register your copy. Site Licenses The purpose of the site license is to allow a school or company to run it on as many of their computers as they wish at a given location. It is my hope that this will allow schools who would like to use multiple copies in their classrooms will be able to do so honestly without breaking their budget. The site license applies to the whole facility at a particular location on a single license, not one particular classroom. The registration price of this program is $25.00 or a site license for $125.00. ADVANTAGES OF REGISTRATION: I will correspond with registered users of the program to help with any difficulties they have running the program. Calls to discuss any problems are at the user's expense. I am generally available between 7 P.M. and 10 P.M. Central Time and would appreciate that calls be limited to these hours. Please do NOT call if you are not registered. If you are unregistered and have a question or comment, feel free to send a letter to the P.O. Box listed above. If you wish a reply please send a self-addressed stamped envelope. Three other programs are included in the registered copy. The shareware version of CHEMPAC1 includes only the periodic chart and the data file to use it. A. A file editing program to put in missing or incorrect data that they might find find in the current data file. I would appreciate being informed of any incorrect data found. B. A program which uses the periodic chart data to calculate molecular weights and percent composition given the chemical formula is given. In this program, you enter the formula and it displays it and the calculated molecular weight. C. A program which calculates the empirical and molecular formula from percent composition and approximate molecular weight. VERSION HISTORY: 1.10 Periodic chart improved with multiple pop-up data windows, stable and unstable isotope information. 1.10 Implemented startup on any element by entering "PCHART He". The program would start with Helium's data displayed. 1.00 Periodic chart with background information, and atomic radii put into shareware. Molecular weight and formula program in registered version. SYSTEM REQUIREMENTS CHEMPAC1 1.10 runs on IBM compatible computers with at least 512 K of memory, 2 floppy disk drives, color monitor, and an DOS version 3.0 or above. THE CHEMPAC SERIES The CHEMPAC series of programs is being written as a help to laboratory chemists and chemistry students. The objective of the series is to provide a series of useful programs for use in the laboratory. CHEMPAC 2 Not yet released CHEMPAC 3 The 3rd member of the series is program to find solvents which meet your search parameters. This is a program I wrote a few years ago for my personal use and I am putting it out in shareware. If you have ever started to run out of ideas for a crystallization solvent or reaction solvent, this program can be very useful. The data file currently has 178 (more than 220 for the registered version) solvents which can be searched by various experimental parameters. For example, let's say you need a crystallization solvent which is miscible with water, has a boiling point between 75-100 degrees Celsius and a melting point below 0 degrees Celsius. This program would allow you to search by all of these parameters at once to get a list of usable solvents. There are 12 searchable parameters in all including name, formula, molecular weight, boiling point, melting point, dielectric constant, dipole moment, viscosity, and heat of vaporization. When you register CHEMPAC 3 for $25.00, you get a program to edit and add to the solvent database. A site license for CHEMPAC 3 is $125.00. Programs in the CHEMPAC series: CHEMPAC 1: PCHART.EXE MOLEWT.EXE * PCHART.BSV ELEMHDL.EXE * CHEMPAC1.DOC FORMULA.EXE * ELEMENT.DAT CHEMPAC 3: FINDSOLV.EXE SOLVHDL.EXE * SOLVENT.DAT SOLVPARM.BSV * * Registered version only Future products: My intentions are to create a whole series of laboratory utility programs over the next several years to do such things as calculate the strength of acids and bases, locate solvents by describing the solvent you want and predicting the outcome of such common laboratory operations such as fractional distillations and so on. As time goes on all of these will be available as shareware. If you have suggestions for particular programs, I would be glad to hear them. CHEMPAC 1 In the first member of the series, a complete periodic chart program is presented. In addition to all of the usual information given on a periodic chart, pop up windows offer ionic radii information, the discoverer and date of discovery of each element and stable and unstable isotope information. With registration, the user receives a molecular weight and percent composition program, and a empirical/molecular formula program, and a program to edit the element data file. PCHART Pchart is an easy to use, convenient to load Periodic Chart Program. 3 files are required to run it. PCHART.EXE, ELEMENT.DAT and PCHART.BSV. Type in PCHART <ENTER> and the periodic chart of elements 1-107 is displayed. When you start, Pd (Palladium) should be blinking and information on Pd should be displayed. ┌──────────────────────┐ ╔════════════════════════════════════════════╗ │ Alkali Metals ██ │ ║ Copyright 1990-91, John R. Duchek, D.C.S. ║ │ Alk. Earths ██ │ ║ P.O. Box 25006, St. Louis, MO 63125 v.1.10 ║ │ Transition metals ██ │ ╚════════════════════════════════════════════╝ ┌──┐ │ Non-Metals ██ │ ┌──┐┌───[Palladium ]────┐ │H │ │ Other Metals ██ │ │He││ Symbol: Pd │ ├──┼──┐ │ Noble Gases ██ │ ┌──┬──┬──┬──┬──┼──┤│ At. No.: 46 │ │Li│Be│ │ Lanthanides ██ │ │B │C │N │O │F │Ne││ At. Wt: 106.42 │ ├──┼──┤ │ Actinides ██ │ ├──┼──┼──┼──┼──┼──┤│ Melt Pt: 1823 °K │ │Na│Mg│ └──────────────────────┘ │Al│Si│P │S │Cl│Ar││ Boil Pt: 3200 °K │ ├──┼──┼──┬──┬──┬──┬──┬──┬──┬──┬──┬──┼──┼──┼──┼──┼──┼──┤│ Density: 12.02 │ │K │Ca│Sc│Ti│V │Cr│Mn│Fe│Co│Ni│Cu│Zn│Ga│Ge│As│Se│Br│Kr││ Electroneg: 1.39 │ ├──┼──┼──┼──┼──┼──┼──┼──┼──┼──┼──┼──┼──┼──┼──┼──┼──┼──┤│ Ioniz. Pot: 8.336 │ │Rb│Sr│Y │Zr│Nb│Mo│Tc│Ru│Rh│Pd│Ag│Cd│In│Sn│Sb│Te│I │Xe││ Spec. Heat: .0584 │ ├──┼──┼──┼──┼──┼──┼──┼──┼──┼──┼──┼──┼──┼──┼──┼──┼──┼──┤│ │ │Cs│Ba│ *│Hf│Ta│W │Re│Os│Ir│Pt│Au│Hg│Tl│Pb│Bi│Po│At│Rn││ Oxidation States │ ├──┼──┤ │├──┼──┼──┼──┼──┴──┴──┴──┴──┴──┴──┴──┴──┴──┴──┘├──┬──┬──┬──┬──┬──┬──┬──┤ │Fr│Ra│*││Uq│Up│Uh│Us│ │ 2│ 4│ │ │ │ │ │ │ └──┴──┘││├──┼──┼──┼──┼──┬──┬──┬──┬──┬──┬──┬──┬──┬──┬──┐├──┴──┴──┴──┴──┴──┴──┴──┤ │└┤La│Ce│Pr│Nd│Pm│Sm│Eu│Gd│Tb│Dy│Ho│Er│Tm│Yb│Lu││Electron Configuration │ │ ├──┼──┼──┼──┼──┼──┼──┼──┼──┼──┼──┼──┼──┼──┼──┤│┌──┬──┬──┬──┬──┬──┬──┐ │ └─┤Ac│Th│Pa│U │Np│Pu│Am│Cm│Bk│Cf│Es│Fm│Md│No│Lr│└┤2 │8 │18│18│0 │0 │0 ├─┘ └──┴──┴──┴──┴──┴──┴──┴──┴──┴──┴──┴──┴──┴──┴──┘ └──┴──┴──┴──┴──┴──┴──┘ F1-units F2-radii F3-background F4-Isotopes F5-Print F10 W.Wipe ESC to exit By using your arrow keys, you may move around the periodic chart as desired. Information on each element is displayed as you move around. Press F1 and a pop-up display of general information on the periodic chart is displayed: ┌──────────────────────┐ ╔════════════════════════════════════════════╗ │ Alkali Metals ██ │ ║ Copyright 1990-91, John R. Duchek, D.C.S. ║ │ Alk. Earths ██ │ ║ P.O. Box 25006, St. Louis, MO 63125 v.1.10 ║ │ Transition metals ██ │ ╚════════════════════════════════════════════╝ ┌──┐ │ Non-Metals ██ │ Register your ┌──┐┌───[Palladium ]────┐ │H │ │ Other Metals ██ │ Copy Today !! │He││ Symbol: Pd │ ├──┼──┐ │ Noble Gases ██ │ ┌──┬──┬──┬──┬──┼──┤│ At. No.: 46 │ │Li│Be│ │ Lanthanides ██ │ │B │C │N │O │F │Ne││ At. Wt: 106.42 │ ├──┼──┤ │ Actinides ██ │ ├──┼──┼──┼──┼──┼──┤│ Melt Pt: 1823 °K │ │Na│Mg│ └──────────────────────┘ │Al│Si│P │S │Cl│Ar││ Boil Pt: 3200 °K │ ├──┼──┼──┬──┬──┬──┬──┬──┬──┬──┬──┬──┼──┼──┼──┼──┼──┼──┤│ Density: 12.02 │ │K │Ca│Sc│Ti│V │Cr│Mn│Fe│Co│Ni│Cu│Zn│Ga│Ge│As│Se│Br│Kr││ Electroneg: 1.39 │ ├──┼──┼──┼──┼──┼──┼──┼──┼──┼──┼──┼──┼──┼──┼──┼──┼──┼──┤│ Ioniz. Pot: 8.336 │ │Rb│Sr│Y │Zr│Nb│Mo│Tc│Ru│Rh│Pd│Ag│Cd│In│Sn│Sb│Te│I │Xe││ Spec. Heat: .0584 │ ├──┼──┼──┼──┼──┼──┼──┼──┼──┼──┼──┼──┼──┼──┼──┼──┼──┼──┤│ │ │Cs│Ba│ *│Hf│Ta│W │Re│Os│Ir│P┌────────General Units Information (F1)────────┐ │ ├──┼──┤ │├──┼──┼──┼──┼──┴──┴─│ Periodic Chart is based on the 1987 IUPAC │──┤ │Fr│Ra│*││Uq│Up│Uh│Us│ │ Table of Standard Atomic Weights. For radio- │ │ └──┴──┘││├──┼──┼──┼──┼──┬──┬─│ active elements, the mass of the isotope │──┤ │└┤La│Ce│Pr│Nd│Pm│Sm│E│ with the longest known half life is given. │n │ │ ├──┼──┼──┼──┼──┼──┼─│ Boiling, Melting points in ° Kelvin @ 1 atm. │┐ │ └─┤Ac│Th│Pa│U │Np│Pu│A│ Densities in gram/cubic centimeter @ 293 °K │├─┘ └──┴──┴──┴──┴──┴──┴─│ I.P. - Volts, Sp. Heat - g/cal-degK @ 293°K │┘ F1-units F2-radii F3-backg└──────────────────────────────────────────────┘xit Pressing F1 will remove this window if it is the last pressed. F10 restores the original display. Pressing F2 gives you information on the element's atomic radii in Angstroms: ┌──────────────────────┐ ╔════════════════════════════════════════════╗ │ Alkali Metals ██ │ ║ Copyrigh┌──────Atomic radii (F2)───────┐. ║ │ Alk. Earths ██ │ ║ P.O. Box│ Ion: +2 radius: .8Å │10 ║ │ Transition metals ██ │ ╚═════════│ Ion: +4 radius: .65Å │═══╝ ┌──┐ │ Non-Metals ██ │ Register│ Atomic radius: 1.37Å │───┐ │H │ │ Other Metals ██ │ Copy Tod└──────────────────────────────┘ │ ├──┼──┐ │ Noble Gases ██ │ ┌──┬──┬──┬──┬──┼──┤│ At. No.: 46 │ │Li│Be│ │ Lanthanides ██ │ │B │C │N │O │F │Ne││ At. Wt: 106.42 │ ├──┼──┤ │ Actinides ██ │ ├──┼──┼──┼──┼──┼──┤│ Melt Pt: 1823 °K │ │Na│Mg│ └──────────────────────┘ │Al│Si│P │S │Cl│Ar││ Boil Pt: 3200 °K │ ├──┼──┼──┬──┬──┬──┬──┬──┬──┬──┬──┬──┼──┼──┼──┼──┼──┼──┤│ Density: 12.02 │ │K │Ca│Sc│Ti│V │Cr│Mn│Fe│Co│Ni│Cu│Zn│Ga│Ge│As│Se│Br│Kr││ Electroneg: 1.39 │ ├──┼──┼──┼──┼──┼──┼──┼──┼──┼──┼──┼──┼──┼──┼──┼──┼──┼──┤│ Ioniz. Pot: 8.336 │ │Rb│Sr│Y │Zr│Nb│Mo│Tc│Ru│Rh│Pd│Ag│Cd│In│Sn│Sb│Te│I │Xe││ Spec. Heat: .0584 │ ├──┼──┼──┼──┼──┼──┼──┼──┼──┼──┼──┼──┼──┼──┼──┼──┼──┼──┤│ │ │Cs│Ba│ *│Hf│Ta│W │Re│Os│Ir│Pt│Au│Hg│Tl│Pb│Bi│Po│At│Rn││ Oxidation States │ ├──┼──┤ │├──┼──┼──┼──┼──┴──┴──┴──┴──┴──┴──┴──┴──┴──┴──┘├──┬──┬──┬──┬──┬──┬──┬──┤ │Fr│Ra│*││Uq│Up│Uh│Us│ │ 2│ 4│ │ │ │ │ │ │ └──┴──┘││├──┼──┼──┼──┼──┬──┬──┬──┬──┬──┬──┬──┬──┬──┬──┐├──┴──┴──┴──┴──┴──┴──┴──┤ │└┤La│Ce│Pr│Nd│Pm│Sm│Eu│Gd│Tb│Dy│Ho│Er│Tm│Yb│Lu││Electron Configuration │ │ ├──┼──┼──┼──┼──┼──┼──┼──┼──┼──┼──┼──┼──┼──┼──┤│┌──┬──┬──┬──┬──┬──┬──┐ │ └─┤Ac│Th│Pa│U │Np│Pu│Am│Cm│Bk│Cf│Es│Fm│Md│No│Lr│└┤2 │8 │18│18│0 │0 │0 ├─┘ └──┴──┴──┴──┴──┴──┴──┴──┴──┴──┴──┴──┴──┴──┴──┘ └──┴──┴──┴──┴──┴──┴──┘ F1-units F2-radii F3-background F4-Isotopes F5-Print F10 W.Wipe ESC to exit Pressing F2 will remove this window if it is the last pressed. F10 will restore the original display. Pressing F3 gives you information on the discovery and discoverer and some information on where the element is found: ┌──────────────────────┐ ╔════════════════════════════════════════════╗ │ Alkali Metals ██ │ ║ Copyright 1990, John R. Duchek, D. C. S. ║ │ Alk. Earths ██ │ ║ P.O. Box 25006, St. Louis, MO 63125 v.1.10 ║ │ Transition metals ██ │ ╚════════════════════════════════════════════╝ ┌──┐ │ Non-Metals ██ │ Register your ┌──┐┌───[Palladium ]────┐ │H │ │ Other Metals ██ │ Copy Today !! │He││ Symbol: Pd │ ├──┼──┐ │ Noble Gases ██ │ ┌──┬──┬──┬──┬──┼──┤│ At. No.: 46 │ │Li│Be│ │ Lanthanides ██ │ │B │C │N │O │F │Ne││ At. Wt: 106.42 │ ├──┼──┤ │ Actinides ██ │ ├──┼──┼──┼──┼──┼──┤│ Melt Pt: 1823 °K │ │Na│Mg│ └──────────────────────┘ │Al│Si│P │S │Cl│Ar││ Boil Pt: 3200 °K │ ├──┼──┼──┬──┬──┬──┬──┬──┬──┬──┬──┬──┼──┼──┼──┼──┼──┼──┤│ Density: 12.02 │ │K │Ca│Sc│Ti│V │Cr│Mn│Fe│Co│Ni│Cu│Zn│Ga│Ge│As│Se│Br│Kr││ Electroneg: 1.39 │ ├──┼──┼──┼──┼──┼──┼──┼──┼──┼──┼──┼──┼──┼──┼──┼──┼──┼──┤│ Ioniz. Pot: 8.336 │ │Rb│Sr│Y │Zr│Nb│Mo│Tc│Ru│Rh│Pd│Ag│Cd│In│Sn│Sb│Te│I │Xe││ Spec. Heat: .0584 │ ├──┼──┼──┼──┼──┼──┼──┼──┼──┼──┼──┼──┼──┼──┼──┼──┼──┼──┤│ │ ┌───────Background Information (F3)────────┐i│Po│At│Rn││ Oxidation States │ │ Year discovered: 1803 │─┴──┴──┴──┘├──┬──┬──┬──┬──┬──┬──┬──┤ │ Discoverer: Wollaston │ │ 2│ 4│ │ │ │ │ │ │ │ Common sources: elemental │─┬──┬──┬──┐├──┴──┴──┴──┴──┴──┴──┴──┤ │ Description: steel-white metal │r│Tm│Yb│Lu││Electron Configuration │ └──────────────────────────────────────────┘─┼──┼──┼──┤│┌──┬──┬──┬──┬──┬──┬──┐ │ └─┤Ac│Th│Pa│U │Np│Pu│Am│Cm│Bk│Cf│Es│Fm│Md│No│Lr│└┤2 │8 │18│18│0 │0 │0 ├─┘ └──┴──┴──┴──┴──┴──┴──┴──┴──┴──┴──┴──┴──┴──┴──┘ └──┴──┴──┴──┴──┴──┴──┘ F1-units F2-radii F3-background F4-Isotopes F5-Print F10 W.Wipe ESC to exit Pressing F3 will remove this window if it is the last pressed. F10 will restore the original display. Pressing F4 displays isotope information for the chosen element. ┌──────────────────Isotopic Information (F4)───────────────────┐═══════════════╗ │ Stable Isotopes: │ek, D. C. S. ║ │ Number abundance mass n.m. spin │O 63125 v.1.10 ║ │ 102 .96% 101.9049 no data │═══════════════╝ │ 104 10.97% 103.9036 no data │adium ]────┐ │ 105 22.23% 104.9046 2.5 │ Pd │ │ 106 27.33% 105.9032 no data │: 46 │ │ 108 26.71% 107.903 no data │ 106.42 │ │ 110 11.81% 110 no data │: 1823 °K │ │ Unstable Isotopes: │: 3200 °K │ │ Number abundance mass n.m. spin half-life decay mode │: 12.02 │ │ 103 0% 103 no data 17.0d EC │neg: 1.39 │ │ 107 0% 107 no data ≈7E06y ß- │Pot: 8.336 │ │ 109 0% 109 no data 13.47h ß- │eat: .0584 │ └──────────────────────────────────────────────────────────────┘ │ │Cs│Ba│ *│Hf│Ta│W │Re│Os│Ir│Pt│Au│Hg│Tl│Pb│Bi│Po│At│Rn││ Oxidation States │ ├──┼──┤ │├──┼──┼──┼──┼──┴──┴──┴──┴──┴──┴──┴──┴──┴──┴──┘├──┬──┬──┬──┬──┬──┬──┬──┤ │Fr│Ra│*││Uq│Up│Uh│Us│ │ 2│ 4│ │ │ │ │ │ │ └──┴──┘││├──┼──┼──┼──┼──┬──┬──┬──┬──┬──┬──┬──┬──┬──┬──┐├──┴──┴──┴──┴──┴──┴──┴──┤ │└┤La│Ce│Pr│Nd│Pm│Sm│Eu│Gd│Tb│Dy│Ho│Er│Tm│Yb│Lu││Electron Configuration │ │ ├──┼──┼──┼──┼──┼──┼──┼──┼──┼──┼──┼──┼──┼──┼──┤│┌──┬──┬──┬──┬──┬──┬──┐ │ └─┤Ac│Th│Pa│U │Np│Pu│Am│Cm│Bk│Cf│Es│Fm│Md│No│Lr│└┤2 │8 │18│18│0 │0 │0 ├─┘ └──┴──┴──┴──┴──┴──┴──┴──┴──┴──┴──┴──┴──┴──┴──┘ └──┴──┴──┴──┴──┴──┴──┘ F1-units F2-radii F3-background F4-Isotopes F5-Print F10 W.Wipe ESC to exit Pressing F4 will remove this window if it is the last pressed. Pressing F10 will remove all windows. All of the windows can be displayed in any combination and the display can be returned to the periodic chart by pressing F10. ┌──────────────────Isotopic Information (F4)───────────────────┐═══════════════╗ │ Stable Isotopes: │(F2)───────┐. ║ │ Number abundance mass n.m. spin │ .8Å │10 ║ │ 102 .96% 101.9049 no data │ .65Å │═══╝ │ 104 10.97% 103.9036 no data │ 1.37Å │───┐ │ 105 22.23% 104.9046 2.5 │───────────┘ │ │ 106 27.33% 105.9032 no data │: 46 │ │ 108 26.71% 107.903 no data │ 106.42 │ │ 110 11.81% 110 no data │: 1823 °K │ │ Unstable Isotopes: │: 3200 °K │ │ Number abundance mass n.m. spin half-life decay mode │: 12.02 │ │ 103 0% 103 no data 17.0d EC │neg: 1.39 │ │ 107 0% 107 no data ≈7E06y ß- │Pot: 8.336 │ │ 109 0% 109 no data 13.47h ß- │eat: .0584 │ └──────────────────────────────────────────────────────────────┘ │ ┌───────Background Information (F3)────────┐l Units Information (F1)────────┐ │ │ Year discovered: 1803 │rt is based on the 1987 IUPAC │──┤ │ Discoverer: Wollaston │dard Atomic Weights. For radio- │ │ │ Common sources: elemental │nts, the mass of the isotope │──┤ │ Description: steel-white metal │est known half life is given. │n │ └──────────────────────────────────────────┘ing points in ° Kelvin @ 1 atm. │┐ │ └─┤Ac│Th│Pa│U │Np│Pu│A│ Densities in gram/cubic centimeter @ 293 °K │├─┘ └──┴──┴──┴──┴──┴──┴─│ I.P. - Volts, Sp. Heat - g/cal-degK @ 293°K │┘ F1-units F2-radii F3-backg└──────────────────────────────────────────────┘xit PROGRAMS IN THE REGISTERED VERSION MOLEWT.EXE The molecular weight program is extremely easy to use. When you run MOLEWT. it will start by asking you for the compound's name. After you enter a name, it will ask you for the chemical formula of the compound. Notice that the CAPS LOCK key will come on and you will have to press Shift for the lower case letters. This is more convenient since all of the elements start with upper case letters. Type the formula in as you would write it out -- CH4 for methane, or H2O for water. ╓──────────────────────────────────────────────────────────────────────╖ ║ MOLECULAR WEIGHT - Derives mol. wt. and % composition from formula ║ ║ Copyright 1990 by John R. Duchek, Duchek Computer Services ║ ║ P.O. Box 25006, St. Louis, MO 63125, (314)-544-1843 ║ ║ For use by REGISTERED CHEMPAC users only ║ ╙──────────────────────────────────────────────────────────────────────╜ Compound name (Enter 'END' to quit) : BENZOPHENONE Chemical Formula (e.g. C6H5NO2; CAPS ON): ? C13H10O The computer will use the data from the periodic chart program to calculate out the molecular weight of the compound and its percent composition and display it on the screen. ╔══════════════╗ ║ BENZOPHENONE ║ ╚══════════════╝ ╒══════════════════════════════════════════════════════════════════════════════╕ │ Formula: C13H10O MOLECULAR WEIGHT = 182.2214 │ ╘══════════════════════════════════════════════════════════════════════════════╛ ╓─────────────────────────────────────────────────╖ ║ ATOM # IN FORMULA PERCENT COMP. ║ ║ C 13 85.68862 % ║ ║ H 10 5.531184 % ║ ║ O 1 8.780199 % ║ ╙─────────────────────────────────────────────────╜ Press any key to continue: Simply push PrintScrn to drop a copy to your printer. To calculate another, press any key and you will be returned to the first menu. By entering 'END' as the compound name you will be returned to DOS. FORMULA.EXE The formula program works in the opposite way. If you have percent composition on a compound, you can put it in and obtain an empirical formula. If you have an approximate molecular weight, the computer will "guess" at the molecular weight of the compound. In the initial menu, you are asked for the sample name and how many elements in the formula. ┌──────────────────────────────────────────────────────────────────────┐ │ FORMULA - Derives empirical and molecular formula from % composition │ │ Copyright 1990 by John R. Duchek, Duchek Computer Services │ │ P.O. Box 25006, St. Louis, MO 63125, (314)-544-1843 │ │ For use by REGISTERED CHEMPAC users only │ └──────────────────────────────────────────────────────────────────────┘ Sample name (END to exit): ? METHANE How many different elements are in your formula (MAX=11)? 2 GIVE CHEMICAL SYMBOL, AND % IN COMPOUND (Cl,32.4):? C,75 GIVE CHEMICAL SYMBOL, AND % IN COMPOUND (Cl,32.4):? H,25 Approximate Molecular Weight: ? 14 The program then prompts you to give it the element's symbol followed by the weight percent of that element in the compound. Lastly it asks for an approximate molecular weight so that it can guess at the molecular formula. ╔══════════╗ ║ METHANE ║ ╚══════════╝ ─────────────────────────────────────────────────────────── ELEMENT PER CENT EMP. FORM. MOL. FORM. ─────────────────────────────────────────────────────────── C 75 1 1 H 25 4 4 ─────────────────────────────────────────────────────────── Approximate molecular weight given: 14 Best Estimate of exact Molecular weight: 16.0426 Warning: the approximate molecular weight is 14.58999 % off The results of the calculation for methane are shown above. As you can see, the program reports an empirical formula, molecular formula and the difference between its guess of the molecular formula and your approximate value. ELEMHDL.EXE Hopefully you will never use this program. The Elemhdl program allows you to edit the element data in the file. Normally this should not be necessary, but if you find an error in the data, this program allows you to correct it immediately. I would certainly appreciate being informed of the error so that I may correct it on the master copy also. ┌──────────────────────────────────────────────────────────────────────┐ │ ELEMENT - Edits the ELEMENT.DAT file │ │ Copyright 1990-91 by John R. Duchek, Duchek Computer Services │ │ P.O. Box 25006, St. Louis, MO 63125, (314)-544-1843 │ │ For use by REGISTERED CHEMPAC users only │ └──────────────────────────────────────────────────────────────────────┘ FILE HANDLING MENU FOR ELEMENT.DAT C change current file E Close file and end S Edit stable isotopes U Edit unstable isotopes PRESS C AT THE MAIN MENU This program allows you to edit the data for any of the 107 elements. To change information other than isotopic information, choose C at the above menu and this menu appears: a Search by element name. b Search by element symbol. c Search by atomic no. d Search by atomic weight. N NO search required. R Return Choose one of the search parameters such as element name and then enter a partial name (H in the example). Any element starting with H will be displayed. Brief information on any element starting with H will appear. On the left side is the record number to select that element. search parameter : ? H 1 Hydrogen H 1.0079 2 Helium He 4.0026 67 Holmium Ho 164.9303 72 Hafnium Hf 178.49 80 Mercury Hg 200.59 File number to be changed : ? 1 Choose the element to have its data edited by its record number and the change menu will appear. CHANGE MENU A change element name Hydrogen B change element symbol H C change atomic number 1 D change atomic weight 1.0079 E change electronic configuration 1 0 0 0 0 0 0 F change oxidation states -1 1 0 0 0 0 0 0 G melting point = 14 K H boiling point = 20 K I density = .0000899 J Electronegativity = 2.2 K Ionization Potential = 13.598 L ionic radii 1.54 0 .54 0 0 0 0 0 M Specific heat: 3.41 N discovery: 1766 O discoverer: Cavendish P ores: water, hydrocarbons Q Description: odorless colorless gas R RETURN to main menu S Another file ? Choose the letter of the property you wish to change. Isotopic data appears in a separate screen. S will ask you for another record number, R will return you to the main menu. PRESS E AT THE MAIN MENU This is the proper way to end the program. It will close all open files and return you to the DOS prompt. PRESS S AT THE MAIN MENU Press S to edit the stable isotopes for any given atomic number. The program allows for 10 stable isotopes of each element. When you press S, and then choose the atomic number you wish to edit, this menu will appear: Atomic number (0 to end): ? 6 Carbon 1 12 98.892 12 0 2 13 1.108 13.00335 .5 Index no (0 to end; 1-10): ? In this case, only 2 of the 10 possible isotopes are being used. 0 exits, pressing 1 or 2 allows you to edit the existing isotopes. 3-10 would allow you to put in new isotopes. Be advised that if you put in #4 without having #3 in, the program will not see #4. The program will prompt you for information on each isotope and then return you to this display. PRESS U AT THE MAIN MENU Press U to edit the unstable isotopes for any given atomic number. The program allows for 12 unstable isotopes of each element. When you press U, and then choose the atomic number you wish to edit, this menu will appear: Atomic number (0 to end): ? 6 Carbon 1 14 0 14.0032 0 5730y ß- index # (0 to exit; 1-12):? 1ß- 2ß+ 3EC 4α 5IT 6SF 7≈ 8no dat 9 10 In this case, only 1 of the 12 possible isotopes are being used. 0 exits, pressing 1 allows you to edit the existing isotope. 2-12 would allow you to put in new isotopes. Be advised that if you put in #3 without having #2 in, the program will not see #3. Notice that the function keys are active to help put in the non-keyboard characters used in this section. The program will prompt you for information on each isotope and then return you to this display. About the author: John Duchek obtained his B.S. and Ph.D. in Organic Chemistry from St. Louis University. He post-doc'd at the University of Arizona. He has taught at the University level in Florida, managed a chemical plant in Michigan, and worked as a research chemist and process troubleshooter in Saint Louis for Sigma Chemical Company and Mallinckrodt Chemical Inc. WARRANTY Duchek Computer Services will be happy to replace a defective disk if the programs are unreadable. We are not responsible for lost or incorrect data due to improper use of these programs. The CHEMPAC system is provided on an as-is basis. Only REGISTERED users will be notified of major updates or improvements. DISCLAIMER This program has been written in Quick BASIC 4.5 and extensively debugged. We use this system ourselves and any bugs that we have found have been corrected. All of our care not withstanding, it has been said that no program is ever totally bug free. We cannot guarantee perfection. We cannot take responsibility for any losses of software, hardware or data which results from the use of this program. It is possible that you may discover a bug; if so, we would appreciate your help in correcting it. Please note down the symptoms and what you were doing when the bug occurred and mail these to: John R. Duchek Duchek Computer Services P. O. Box 25006 St. Louis, MO 63125 We will attempt to get back to you with a correction or interpretation of the phenomenon as soon as possible. DCS Shareware Offerings: Duchek Computer Services has the following shareware programs available. Documentation files are on-disk for all the programs. The written documentation are provided in pamphlet form. COINFILE A complete coin inventory system for the coin collector. It has been designed by a coin collector it inventory his own collections for insurance purposes. It will keep accurate records of the date, mint, condition, cost, purchase date, and purchase price for each coin in each of your collections. Reports can be printed on any of these items. In addition printouts for insurance purposes, want lists, and check-off lists for inventorying collections, and stick-on labels for the coins are provided. Runs on both monochrome and color systems that are 100% IBM compatible. An automatic installation program is included. All want files are included on registration (3 in shareware version). Registration price: $30.00 (add $5.00 for printed documentation). BUCKFILE This companion program to COINFILE is a complete inventory system for the currency collector. Based on the same philosophy as the coin program, it allows you to keep separate collections of each denomination and type so that all of your $1 silver certificates would be grouped together and your $1 federal reserve notes would comprise another. It keeps accurate record of the date (as 1975 or 1975A), signatures, seal/description, serial number, condition, are kept track of. Want lists and a complete selection of other reports can be generated. Runs on both monochrome and color systems that are 100% IBM compatible. An automatic installation program is included. All want files are included on registration. (3 in shareware version.) Registration price: $45.00 (add $5.00 for printed documentation). CALENDAR This is a simple elegant calendar program which runs form your AUTOEXEC.BAT file. It is an easy to use planning. It displays a monthly calendar with the events of the week highlighted. I tis possible to enter the data in a variety of ways including any combination of months, weeks or even "the 3rd Monday of the month". You can also use it as an appointment program. Registration price: $15.00 (add $5.00 for printed documentation). ADDRESS BOOK This is an address book and Label Maker for small organizations. (Up to 2000 names). Each file can subdivide members into up to 26 categories and print these sub-groups separately. Intelligent interactions are stressed to minimize the strain of data input. Zipcode sorting and sub-sorting are supported. DCS has used this program for over 6 years for our mailing label service for local organizations. Registration price: $25.00 (add $5.00 for printed documention). CHEMPAC 1 A full color extensive on screen periodic chart of the elements. Pop-up windows display addtional information on atomic radii, origins, and isotopes of each element. Arrow keys move you from element to element, or simply start the program at the element you are interested in. PCHART Hg<CR> will start the program on Mercury. Upon registration you also get Molecular Weight/Percent Composition and Empirical/Molecular Formula programs, along with a program to edit the ELEMENT.DAT file in case you find an error or wish a correction in a piece of data. Requires a color monitor. Registration price $25.00 (add $5.00 for printed documentation.) CHEMPAC 3 This solvent finding program allows you to search through a database of solvents to find those with the properties you want. Searchable properties (maximum and minimum) include boiling and melting points, dielectric constants, viscosity, partial and whole formulas and names, refractive index, molecular weight, water solubility and flash point. A must for laboratory workers! Requires a color monitor. Registration price $25.00 (add $5.00 for printed documentation). TIMER TIMER consists of 2 programs - Timer and Stopwtch. Timer is a count-down to an alarm. It can count for 24 hours if needed, but I use it in lab operations to time 15 minutes of stirring or whatever. The digital countdown on the screen is visible from at least 20 feet away. Requires a color monitor. Stopwtch is a stopwatch program accurate to 0.1 seconds and has 9 lap counters available. Requires a color monitor. Registration price (for both): $10. No written documention available (Simple instructions on disk). HOW TO GET A COPY Duchek Computer Services will send you the "Shareware" version of any of the above programs for $3.50 for your evaluation. In addition we will send you a copy of our current shareware catalog for IBMs and compatibles which contains over 1100 compressed programs. See the registration form below. Quick Basic and MS-DOS are trade names of Microsoft Inc. This documentation is for version 1.10 CHEMPAC 1 Registration Form Name__________________________________________________________ Street (1)____________________________________________________ City, State, Zip _____________________________________________ Type of computer______________________________________________ Monitor Type__________________________________________________ Hard Drive?_________________Size______________________________ Suggestions for Improvements__________________________________ ______________________________________________________________ ┌─┐ └─┘ Register me for the current version of CHEMPAC1......$25.00 ┌─┐ └─┘ Register for the current version of CHEMPAC1 with full site useage....................................$125.00 ┌─┐ └─┘ Send the printed manual @ $.5.00 ea................._______ _______ Subtotal:$ ┌─┐ └─┘ Send 5.25" diskette ┌─┐ └─┘ Send 3.5" diskette Multiple copies of the manual are available with the site license only. Send the following shareware @ $3.50/diskette....._________ COINFILE BUCKFILE CHEMPAC1 CHEMPAC3 ADDRESSBOOK CALENDAR TIMER Mail orderform to: Duchek Computer Services P.O. Box 25006 St. Louis, MO 63125 Credit card orders can be made by telephone (7:00 AM-9:00 PM Central Time) by calling (314)-544-1843 Check type of payment: __Check __MasterCard __Visa Card number:______-______-______-______ Expiration date: ______/______ Signature:________________________________ All credit card purchases are subject to authorization.