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Unknown | 1995-05-26 | 1.1 KB |
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Win98
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DOS
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Confidence | Program | Detection | Match Type | Support
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100%
| file
| data
| default
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hex view+--------+-------------------------+-------------------------+--------+--------+
|00000000| 1a 32 2c 33 2d 44 69 6d | 65 74 68 79 6c 2d 32 2d |.2,3-Dim|ethyl-2-|
|00000010| 6e 6f 72 62 6f 72 6e 61 | 6e 6f 6c 0c 00 13 00 08 |norborna|nol.....|
|00000020| 00 04 4f 48 5f 37 11 00 | 09 00 05 43 48 32 5f 31 |..OH_7..|...CH2_1|
|00000030| 11 00 0a 00 04 43 48 5f | 35 11 00 08 00 04 43 48 |.....CH_|5.....CH|
|00000040| 5f 36 12 00 07 00 05 43 | 48 33 5f 35 12 00 09 00 |_6.....C|H3_5....|
|00000050| 06 45 58 54 4e 5f 31 12 | 00 0a 00 04 43 48 5f 34 |.EXTN_1.|....CH_4|
|00000060| 12 00 0b 00 05 43 48 33 | 5f 31 12 00 08 00 03 43 |.....CH3|_1.....C|
|00000070| 5f 31 10 00 09 00 06 45 | 58 54 4e 5f 31 10 00 0a |_1.....E|XTN_1...|
|00000080| 00 06 43 48 32 5f 31 32 | 10 00 08 00 06 43 48 32 |..CH2_12|.....CH2|
|00000090| 5f 31 33 ff d0 03 50 61 | 74 68 3a 20 20 20 47 3a |_13...Pa|th: G:|
|000000a0| 5c 44 45 4d 4f 5c 52 45 | 4c 45 41 53 45 5c 53 31 |\DEMO\RE|LEASE\S1|
|000000b0| 38 2e 45 43 42 0d 0a 4e | 61 6d 65 3a 20 20 20 20 |8.ECB..N|ame: |
|000000c0| 32 2c 33 2d 44 69 6d 65 | 74 68 79 6c 2d 32 2d 6e |2,3-Dime|thyl-2-n|
|000000d0| 6f 72 62 6f 72 6e 61 6e | 6f 6c 0d 0a 46 6f 72 6d |orbornan|ol..Form|
|000000e0| 75 6c 61 3a 20 20 20 20 | 43 39 48 31 36 4f 31 0d |ula: |C9H16O1.|
|000000f0| 0a 0d 0a 5f 5f 5f 5f 5f | 5f 5f 5f 5f 5f 5f 5f 5f |..._____|________|
|00000100| 5f 0d 0a 46 65 64 6f 72 | 73 20 4d 65 74 68 6f 64 |_..Fedor|s Method|
|00000110| 3a 0d 0a 0d 0a 55 73 69 | 6e 67 20 46 65 64 6f 72 |:....Usi|ng Fedor|
|00000120| 73 20 47 72 6f 75 70 20 | 43 6f 6e 74 72 69 62 75 |s Group |Contribu|
|00000130| 74 69 6f 6e 73 3a 0d 0a | 4d 6f 6c 65 63 75 6c 61 |tions:..|Molecula|
|00000140| 72 20 57 65 69 67 68 74 | 20 55 73 65 64 3a 09 31 |r Weight| Used:.1|
|00000150| 34 30 2e 32 32 35 0d 0a | 41 20 72 69 6e 67 20 77 |40.225..|A ring w|
|00000160| 69 74 68 20 37 20 67 72 | 6f 75 70 73 20 77 61 73 |ith 7 gr|oups was|
|00000170| 20 64 65 74 65 63 74 65 | 64 2e 0d 0a 0d 0a 20 56 | detecte|d..... V|
|00000180| 6d 3d 09 31 31 39 2e 31 | 09 63 6d 33 2f 6d 6f 6c |m=.119.1|.cm3/mol|
|00000190| 65 0d 0a 20 44 65 6e 73 | 69 74 79 3d 09 31 2e 31 |e.. Dens|ity=.1.1|
|000001a0| 37 37 33 37 09 67 6d 2f | 63 6d 33 0d 0a 20 45 63 |7737.gm/|cm3.. Ec|
|000001b0| 6f 68 20 3d 09 36 36 38 | 35 30 09 4a 2f 6d 6f 6c |oh =.668|50.J/mol|
|000001c0| 65 0d 0a 20 53 6f 6c 2e | 20 50 61 72 61 6d 2e 20 |e.. Sol.| Param. |
|000001d0| 3d 09 32 33 2e 36 39 31 | 36 09 4a 5e 31 2f 32 2f |=.23.691|6.J^1/2/|
|000001e0| 63 6d 5e 33 2f 32 0d 0a | 0d 0a 5f 5f 5f 5f 5f 5f |cm^3/2..|..______|
|000001f0| 5f 5f 5f 5f 5f 5f 5f 5f | 5f 5f 0d 0a 4a 6f 62 61 |________|__..Joba|
|00000200| 63 6b 27 73 20 4d 65 74 | 68 6f 64 3a 0d 0a 0d 0a |ck's Met|hod:....|
|00000210| 55 73 69 6e 67 20 4a 6f | 62 61 63 6b 20 47 72 6f |Using Jo|back Gro|
|00000220| 75 70 20 43 6f 6e 74 72 | 69 62 75 74 69 6f 6e 73 |up Contr|ibutions|
|00000230| 3a 0d 0a 4d 6f 6c 65 63 | 75 6c 61 72 20 57 65 69 |:..Molec|ular Wei|
|00000240| 67 68 74 20 55 73 65 64 | 3a 09 31 34 30 2e 32 32 |ght Used|:.140.22|
|00000250| 35 0d 0a 54 20 47 69 76 | 65 6e 3d 09 32 35 09 43 |5..T Giv|en=.25.C|
|00000260| 0d 0a 0d 0a 20 54 62 3d | 09 32 33 33 2e 32 09 43 |.... Tb=|.233.2.C|
|00000270| 0d 0a 20 54 66 3d 09 32 | 36 2e 36 34 09 43 0d 0a |.. Tf=.2|6.64.C..|
|00000280| 20 54 63 3d 09 34 32 39 | 2e 38 39 34 09 43 0d 0a | Tc=.429|.894.C..|
|00000290| 20 50 63 3d 09 34 31 2e | 33 35 36 31 09 62 61 72 | Pc=.41.|3561.bar|
|000002a0| 0d 0a 20 56 63 3d 09 34 | 36 30 2e 35 09 63 6d 33 |.. Vc=.4|60.5.cm3|
|000002b0| 2f 6d 6f 6c 65 0d 0a 20 | 44 48 66 30 3d 09 2d 32 |/mole.. |DHf0=.-2|
|000002c0| 36 37 2e 33 32 09 6b 4a | 2f 6d 6f 6c 65 20 61 74 |67.32.kJ|/mole at|
|000002d0| 20 32 39 38 20 4b 0d 0a | 20 44 47 66 30 3d 09 2d | 298 K..| DGf0=.-|
|000002e0| 32 33 2e 34 33 09 6b 4a | 2f 6d 6f 6c 65 20 61 74 |23.43.kJ|/mole at|
|000002f0| 20 32 39 38 20 4b 0d 0a | 20 44 48 76 62 3d 09 35 | 298 K..| DHvb=.5|
|00000300| 30 2e 35 33 36 09 6b 4a | 2f 6d 6f 6c 65 0d 0a 20 |0.536.kJ|/mole.. |
|00000310| 44 48 66 3d 09 31 33 2e | 31 36 38 09 6b 4a 2f 6d |DHf=.13.|168.kJ/m|
|00000320| 6f 6c 65 0d 0a 20 43 70 | 30 3d 09 31 37 37 2e 38 |ole.. Cp|0=.177.8|
|00000330| 37 35 09 4a 2f 6d 6f 6c | 65 20 4b 20 61 74 20 67 |75.J/mol|e K at g|
|00000340| 69 76 65 6e 20 54 0d 0a | 20 43 70 30 3d 20 2d 31 |iven T..| Cp0= -1|
|00000350| 34 33 2e 37 32 2b 31 2e | 34 32 33 39 34 2a 54 20 |43.72+1.|42394*T |
|00000360| 2d 30 2e 30 30 31 33 31 | 32 2a 54 2a 54 20 2b 35 |-0.00131|2*T*T +5|
|00000370| 2e 31 36 65 2d 30 30 37 | 2a 54 2a 54 2a 54 4a 2f |.16e-007|*T*T*TJ/|
|00000380| 6d 6f 6c 65 20 4b 0d 0a | 2a 56 69 73 63 4c 3d 09 |mole K..|*ViscL=.|
|00000390| 30 2e 30 30 31 32 39 39 | 34 36 09 4e 20 73 2f 28 |0.001299|46.N s/(|
|000003a0| 6d 2a 6d 29 20 61 74 20 | 67 69 76 65 6e 20 54 0d |m*m) at |given T.|
|000003b0| 0a 2a 56 69 73 63 4c 3d | 20 2b 31 34 30 2e 32 32 |.*ViscL=| +140.22|
|000003c0| 35 2a 65 78 70 28 28 2b | 32 30 31 32 2e 32 2f 54 |5*exp((+|2012.2/T|
|000003d0| 29 20 2d 31 38 2e 33 33 | 38 29 0d 0a 0d 0a 0d 0a |) -18.33|8)......|
|000003e0| 5f 5f 5f 5f 5f 5f 5f 5f | 5f 5f 5f 5f 5f 5f 5f 5f |________|________|
|000003f0| 5f 5f 5f 5f 5f 5f 5f 5f | 5f 5f 5f 5f 5f 5f 5f 5f |________|________|
|00000400| 5f 5f 5f 5f 5f 5f 5f 5f | 5f 5f 5f 5f 5f 5f 5f 5f |________|________|
|00000410| 5f 5f 5f 5f 5f 5f 5f 5f | 5f 5f 5f 5f 5f 5f 0d 0a |________|______..|
|00000420| 54 68 65 20 27 2a 27 20 | 62 65 66 6f 72 65 20 61 |The '*' |before a|
|00000430| 20 70 72 6f 70 65 72 74 | 79 20 6e 61 6d 65 20 69 | propert|y name i|
|00000440| 6e 64 69 63 61 74 65 73 | 20 6d 69 73 73 69 6e 67 |ndicates| missing|
|00000450| 20 67 72 6f 75 70 20 76 | 61 6c 75 65 73 21 0d 0a | group v|alues!..|
|00000460| 0d 0a 0d 0a 0d 0a bc 02 | 68 01 12 00 09 00 00 00 |........|h.......|
|00000470| 0b 56 45 52 53 49 4f 4e | 20 31 2e 31 |.VERSION| 1.1 |
+--------+-------------------------+-------------------------+--------+--------+