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Trichlorohexylsilane |
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ID: API-42841 CAS:928-65-4 Supplier:APIchem SMILES:Cl[Si](Cl)(Cl)CCCCCC ChemMol.com FORMULA: C6H13Cl3Si
MASS: 219.6119
EXACT MASS: 217.9852100
INTERATOMIC DISTANCES
Cl 1 Cl 2 Cl 3 Si 4 C 5 C 6
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Cl 1 0.0000
Cl 2 1.4142 0.0000
Cl 3 1.4142 2.0000 0.0000
Si 4 1.0000 1.0000 1.0000 0.0000
C 5 3.6055 3.1196 2.5036 2.6458 0.0000
C 6 2.6458 2.3942 1.5060 1.7321 1.0000 0.0000
C 7 4.3589 4.0576 3.0880 3.4641 1.0000 1.7320
C 8 2.0000 1.4142 1.4142 1.0000 1.7321 1.0001
C 9 5.2915 4.8440 4.0665 4.3590 1.7321 2.6458
C 10 6.0828 5.7617 4.7754 5.1962 2.6458 3.4641
H 11 4.1346 3.4983 3.1019 3.1512 0.6199 1.5967
H 12 3.4019 2.7018 2.5055 2.4060 0.6199 1.0812
H 13 2.1997 2.2716 0.9208 1.4156 1.5967 0.6199
H 14 2.9967 2.9526 1.6768 2.1829 1.0812 0.6199
H 15 3.9317 3.8094 2.5952 3.1022 1.0812 1.4155
H 16 4.7288 4.5641 3.3854 3.8918 1.5968 2.1829
H 17 2.5913 1.7680 1.9934 1.5968 1.4155 1.0812
H 18 1.9884 0.9736 1.8412 1.0812 2.1829 1.5968
H 19 5.7858 5.2298 4.6120 4.8282 2.1829 3.1512
H 20 5.0192 4.4329 3.8942 4.0507 1.4155 2.4059
H 21 5.7523 5.5659 4.3985 4.9156 2.5121 3.1995
H 22 6.6018 6.3431 5.2626 5.7415 3.2380 4.0130
H 23 6.4560 6.0152 5.1991 5.5323 2.9083 3.8121
C 7 C 8 C 9 C 10 H 11 H 12
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C 7 0.0000
C 8 2.6458 0.0000
C 9 1.0001 3.4642 0.0000
C 10 1.7321 4.3590 1.0000 0.0000
H 11 1.0812 2.1829 1.4156 2.4060 0.0000
H 12 1.5967 1.4156 2.1829 3.1512 0.7970 0.0000
H 13 2.1828 1.0812 3.1512 3.8917 2.2062 1.6887
H 14 1.4155 1.5968 2.4060 3.1022 1.6887 1.4514
H 15 0.6199 2.4060 1.5968 2.1829 1.4514 1.6887
H 16 0.6200 3.1513 1.0812 1.4155 1.6888 2.2063
H 17 2.4059 0.6200 3.1022 4.0507 1.7320 0.9350
H 18 3.1512 0.6199 3.8918 4.8282 2.5291 1.7321
H 19 1.5968 3.8918 0.6199 1.0812 1.7321 2.5291
H 20 1.0812 3.1022 0.6200 1.5968 0.9350 1.7320
H 21 1.5201 4.1518 1.1766 0.6200 2.4199 3.0828
H 22 2.2901 4.9340 1.6199 0.6200 3.0231 3.7599
H 23 2.1115 4.6403 1.1766 0.6200 2.5475 3.3355
H 13 H 14 H 15 H 16 H 17 H 18
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H 13 0.0000
H 14 0.7970 0.0000
H 15 1.7320 0.9350 0.0000
H 16 2.5291 1.7321 0.7971 0.0000
H 17 1.4514 1.6887 2.3120 2.9752 0.0000
H 18 1.6888 2.2063 2.9752 3.6918 0.7971 0.0000
H 19 3.6917 2.9752 2.2063 1.6887 3.4641 4.2612
H 20 2.9752 2.3120 1.6887 1.4514 2.6670 3.4641
H 21 3.5531 2.7563 1.8217 1.0254 3.9245 4.6702
H 22 4.4026 3.6063 2.6726 1.8777 4.6496 5.4201
H 23 4.2935 3.5240 2.6420 1.9300 4.2642 5.0577
H 19 H 20 H 21 H 22 H 23
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H 19 0.0000
H 20 0.7971 0.0000
H 21 1.5200 1.7880 0.0000
H 22 1.6309 2.2128 0.8768 0.0000
H 23 0.8924 1.6344 1.2399 0.8768 0.0000
ATOMIC CHARGES
Cl 1 0.0000000000
Cl 2 0.0000000000
Cl 3 0.0000000000
Si 4 0.0000000000
C 5 0.0000000000
C 6 0.0000000000
C 7 0.0000000000
C 8 0.0000000000
C 9 0.0000000000
C 10 0.0000000000
H 11 0.0000000000
H 12 0.0000000000
H 13 0.0000000000
H 14 0.0000000000
H 15 0.0000000000
H 16 0.0000000000
H 17 0.0000000000
H 18 0.0000000000
H 19 0.0000000000
H 20 0.0000000000
H 21 0.0000000000
H 22 0.0000000000
H 23 0.0000000000
BOND ANGLES
7 5 6 C3 C3 C3 119.999
5 6 8 C3 C3 C3 120.001
5 6 13 C3 C3 HC 160.002
5 6 14 C3 C3 HC 80.000
11 5 6 HC C3 C3 160.002
5 6 8 C3 C3 C3 120.001
5 6 13 C3 C3 HC 160.002
5 6 14 C3 C3 HC 80.000
12 5 6 HC C3 C3 80.000
5 6 8 C3 C3 C3 120.001
5 6 13 C3 C3 HC 160.002
5 6 14 C3 C3 HC 80.000
6 5 7 C3 C3 C3 119.999
5 7 9 C3 C3 C3 120.001
5 7 15 C3 C3 HC 80.000
5 7 16 C3 C3 HC 160.009
11 5 7 HC C3 C3 80.000
5 7 9 C3 C3 C3 120.001
5 7 15 C3 C3 HC 80.000
5 7 16 C3 C3 HC 160.009
12 5 7 HC C3 C3 160.002
5 7 9 C3 C3 C3 120.001
5 7 15 C3 C3 HC 80.000
5 7 16 C3 C3 HC 160.009
6 5 11 C3 C3 HC 160.002
7 5 11 C3 C3 HC 80.000
12 5 11 HC C3 HC 80.002
6 5 12 C3 C3 HC 80.000
7 5 12 C3 C3 HC 160.002
11 5 12 HC C3 HC 80.002
13 6 8 HC C3 C3 79.997
6 8 17 C3 C3 HC 79.990
6 8 18 C3 C3 HC 159.999
14 6 8 HC C3 C3 159.999
6 8 17 C3 C3 HC 79.990
6 8 18 C3 C3 HC 159.999
8 6 13 C3 C3 HC 79.997
14 6 13 HC C3 HC 80.002
8 6 14 C3 C3 HC 159.999
13 6 14 HC C3 HC 80.002
15 7 9 HC C3 C3 159.999
7 9 10 C3 C3 C3 120.001
7 9 19 C3 C3 HC 159.999
7 9 20 C3 C3 HC 79.990
16 7 9 HC C3 C3 79.990
7 9 10 C3 C3 C3 120.001
7 9 19 C3 C3 HC 159.999
7 9 20 C3 C3 HC 79.990
9 7 15 C3 C3 HC 159.999
16 7 15 HC C3 HC 80.009
9 7 16 C3 C3 HC 79.990
15 7 16 HC C3 HC 80.009
18 8 17 HC C3 HC 80.009
17 8 18 HC C3 HC 80.009
19 9 10 HC C3 C3 80.000
9 10 21 C3 C3 HC 89.999
9 10 22 C3 C3 HC 179.974
9 10 23 C3 C3 HC 90.001
20 9 10 HC C3 C3 160.009
9 10 21 C3 C3 HC 89.999
9 10 22 C3 C3 HC 179.974
9 10 23 C3 C3 HC 90.001
10 9 19 C3 C3 HC 80.000
20 9 19 HC C3 HC 80.009
10 9 20 C3 C3 HC 160.009
19 9 20 HC C3 HC 80.009
22 10 21 HC C3 HC 90.000
23 10 21 HC C3 HC 179.974
21 10 22 HC C3 HC 90.000
23 10 22 HC C3 HC 90.000
21 10 23 HC C3 HC 179.974
22 10 23 HC C3 HC 90.000
TORSION ANGLES
1 4 8 6 180.000
1 4 8 17 180.000
1 4 8 18 180.000
2 4 8 6 179.974
2 4 8 17 0.026
2 4 8 18 0.026
3 4 8 6 0.026
3 4 8 17 179.974
3 4 8 18 179.974
7 5 6 8 179.974
7 5 6 13 0.026
7 5 6 14 0.026
11 5 6 8 0.026
11 5 6 13 179.974
11 5 6 14 179.974
12 5 6 8 0.026
12 5 6 13 179.974
12 5 6 14 179.974
6 5 7 9 179.974
6 5 7 15 0.026
6 5 7 16 0.026
11 5 7 9 0.026
11 5 7 15 179.974
11 5 7 16 179.974
12 5 7 9 0.026
12 5 7 15 179.974
12 5 7 16 179.974
5 6 8 4 179.974
5 6 8 17 0.026
5 6 8 18 0.026
13 6 8 4 0.026
13 6 8 17 179.974
13 6 8 18 179.974
14 6 8 4 0.026
14 6 8 17 179.974
14 6 8 18 179.974
5 7 9 10 179.974
5 7 9 19 0.026
5 7 9 20 0.026
15 7 9 10 0.026
15 7 9 19 179.974
15 7 9 20 179.974
16 7 9 10 0.026
16 7 9 19 179.974
16 7 9 20 179.974
7 9 10 21 0.026
7 9 10 22 0.026
7 9 10 23 179.974
19 9 10 21 179.974
19 9 10 22 179.974
19 9 10 23 0.026
20 9 10 21 179.974
20 9 10 22 179.974
20 9 10 23 0.026
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