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Dipropyl succinate |
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ID: API-42819 CAS:925-15-5 Supplier:APIchem SMILES:O(CCC)C(=O)CCC(=O)OCCC ChemMol.com FORMULA: C10H18O4
MASS: 202.2475
EXACT MASS: 202.1205091
INTERATOMIC DISTANCES
O 1 O 2 O 3 O 4 C 5 C 6
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O 1 0.0000
O 2 4.3589 0.0000
O 3 1.7320 3.6055 0.0000
O 4 3.6055 1.7320 3.6056 0.0000
C 5 2.6458 1.7320 2.0000 1.7320 0.0000
C 6 1.7320 2.6458 1.7320 2.0000 1.0001 0.0000
C 7 5.1962 1.0001 4.5826 2.0000 2.6458 3.4642
C 8 1.0000 5.1961 2.0000 4.5826 3.4641 2.6457
C 9 6.0828 1.7321 5.2915 3.0000 3.4641 4.3590
C 10 1.7321 6.0828 3.0000 5.2915 4.3590 3.4641
C 11 3.4641 1.0000 3.0000 1.0000 1.0000 1.7321
C 12 1.0000 3.4641 1.0000 3.0000 1.7321 1.0000
C 13 2.6458 6.9282 3.6055 6.2450 5.1962 4.3589
C 14 6.9282 2.6458 6.2450 3.6055 4.3589 5.1962
H 15 2.4059 2.1829 1.4332 2.3451 0.6200 1.0812
H 16 3.1512 1.4155 2.1944 2.0295 0.6199 1.5968
H 17 2.1829 2.4059 2.3451 1.4332 1.0812 0.6200
H 18 1.4155 3.1512 2.0295 2.1944 1.5968 0.6199
H 19 5.7469 1.4155 4.8263 2.9560 3.1021 4.0507
H 20 6.5338 2.1829 5.6193 3.5888 3.8917 4.8282
H 21 1.4155 5.7469 2.9560 4.8263 4.0507 3.1021
H 22 2.1829 6.5338 3.5888 5.6193 4.8282 3.8917
H 23 1.5968 5.6148 2.1944 5.1245 3.8918 3.1512
H 24 1.0812 4.8210 1.4332 4.3997 3.1022 2.4059
H 25 5.6148 1.5968 5.1245 2.1944 3.1512 3.8918
H 26 4.8210 1.0812 4.3997 1.4332 2.4059 3.1022
H 27 2.9083 7.2581 4.0750 6.4446 5.5323 4.6402
H 28 3.2380 7.4715 4.0601 6.8428 5.7415 4.9339
H 29 2.5121 6.6399 3.1879 6.1022 4.9156 4.1517
H 30 7.2581 2.9083 6.4446 4.0750 4.6402 5.5323
H 31 7.4715 3.2380 6.8428 4.0601 4.9339 5.7415
H 32 6.6399 2.5121 6.1022 3.1879 4.1517 4.9156
C 7 C 8 C 9 C 10 C 11 C 12
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C 7 0.0000
C 8 6.0828 0.0000
C 9 1.0000 6.9282 0.0000
C 10 6.9283 1.0001 7.8103 0.0000
C 11 1.7321 4.3589 2.6458 5.1962 0.0000
C 12 4.3590 1.7320 5.1962 2.6458 2.6458 0.0000
C 13 7.8103 1.7321 8.6603 1.0000 6.0828 3.4641
C 14 1.7320 7.8102 1.0000 8.6603 3.4641 6.0828
H 15 3.1513 3.1021 3.8918 4.0507 1.5968 1.4155
H 16 2.4060 3.8917 3.1022 4.8282 1.0812 2.1829
H 17 3.1022 3.1512 4.0507 3.8918 1.4155 1.5968
H 18 3.8918 2.4059 4.8282 3.1022 2.1829 1.0812
H 19 1.0812 6.5468 0.6200 7.4597 2.4059 4.8210
H 20 1.5967 7.3421 0.6199 8.2506 3.1512 5.6148
H 21 6.5469 1.0812 7.4597 0.6200 4.8210 2.4059
H 22 7.3422 1.5968 8.2506 0.6199 5.6148 3.1512
H 23 6.5339 0.6200 7.3422 1.0812 4.8282 2.1829
H 24 5.7470 0.6199 6.5469 1.5968 4.0507 1.4155
H 25 0.6199 6.5338 1.0812 7.3422 2.1829 4.8282
H 26 0.6200 5.7469 1.5968 6.5469 1.4155 4.0507
H 27 8.1044 2.1115 8.9864 1.1766 6.3723 3.8121
H 28 8.3705 2.2901 9.2024 1.6199 6.6486 4.0130
H 29 7.5558 1.5201 8.3675 1.1766 5.8449 3.1995
H 30 2.1114 8.1043 1.1766 8.9864 3.8121 6.3723
H 31 2.2900 8.3704 1.6199 9.2024 4.0130 6.6486
H 32 1.5200 7.5557 1.1766 8.3675 3.1995 5.8449
C 13 C 14 H 15 H 16 H 17 H 18
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C 13 0.0000
C 14 9.5394 0.0000
H 15 4.8210 4.8282 0.0000
H 16 5.6148 4.0507 0.7971 0.0000
H 17 4.8282 4.8210 1.4514 1.6887 0.0000
H 18 4.0507 5.6148 1.6887 2.2063 0.7971 0.0000
H 19 8.2753 1.5968 3.4641 2.6670 3.8189 4.5664
H 20 9.0712 1.0812 4.2612 3.4641 4.5664 5.3282
H 21 1.5968 8.2753 3.8189 4.5664 3.4641 2.6670
H 22 1.0812 9.0712 4.5664 5.3282 4.2612 3.4641
H 23 1.4155 8.2506 3.4641 4.2612 3.6918 2.9752
H 24 2.1829 7.4597 2.6670 3.4641 2.9752 2.3120
H 25 8.2506 1.4155 3.6918 2.9752 3.4641 4.2612
H 26 7.4597 2.1829 2.9752 2.3120 2.6670 3.4641
H 27 0.6200 9.8364 5.2069 5.9908 5.0577 4.2642
H 28 0.6200 10.0957 5.3370 6.1338 5.4201 4.6496
H 29 0.6200 9.2744 4.4880 5.2851 4.6702 3.9245
H 30 9.8364 0.6200 5.0577 4.2642 5.2069 5.9908
H 31 10.0957 0.6200 5.4201 4.6496 5.3370 6.1338
H 32 9.2744 0.6200 4.6702 3.9245 4.4880 5.2851
H 19 H 20 H 21 H 22 H 23 H 24
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H 19 0.0000
H 20 0.7971 0.0000
H 21 7.1457 7.9279 0.0000
H 22 7.9279 8.7128 0.7971 0.0000
H 23 6.9282 7.7253 1.4514 1.6887 0.0000
H 24 6.1311 6.9282 1.6887 2.2063 0.7971 0.0000
H 25 1.4514 1.6887 6.9282 7.7253 7.0108 6.2332
H 26 1.6887 2.2063 6.1311 6.9282 6.2332 5.4611
H 27 8.6312 9.4233 1.6344 0.8924 1.9300 2.6420
H 28 8.8001 9.5971 2.2128 1.6309 1.8777 2.6726
H 29 7.9519 8.7490 1.7880 1.5200 1.0254 1.8217
H 30 1.6344 0.8924 8.6312 9.4233 8.5141 7.7181
H 31 2.2128 1.6309 8.8001 9.5971 8.8238 8.0360
H 32 1.7880 1.5200 7.9519 8.7490 8.0265 7.2452
H 25 H 26 H 27 H 28 H 29 H 30
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H 25 0.0000
H 26 0.7971 0.0000
H 27 8.5141 7.7181 0.0000
H 28 8.8238 8.0360 0.8768 0.0000
H 29 8.0265 7.2452 1.2399 0.8768 0.0000
H 30 1.9300 2.6420 10.1625 10.3768 9.5394 0.0000
H 31 1.8777 2.6726 10.3768 10.6591 9.8458 0.8768
H 32 1.0254 1.8217 9.5394 9.8458 9.0443 1.2399
H 31 H 32
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H 31 0.0000
H 32 0.8768 0.0000
ATOMIC CHARGES
O 1 -0.4646305530
O 2 -0.4646305530
O 3 -0.2508391218
O 4 -0.2508391218
C 5 0.0549626009
C 6 0.0549626009
C 7 0.0922049732
C 8 0.0922049732
C 9 -0.0213780915
C 10 -0.0213780915
C 11 0.3076017506
C 12 0.3076017506
C 13 -0.0621966573
C 14 -0.0621966573
H 15 0.0382754880
H 16 0.0382754880
H 17 0.0382754880
H 18 0.0382754880
H 19 0.0295234262
H 20 0.0295234262
H 21 0.0295234262
H 22 0.0295234262
H 23 0.0697161769
H 24 0.0697161769
H 25 0.0697161769
H 26 0.0697161769
H 27 0.0230816389
H 28 0.0230816389
H 29 0.0230816389
H 30 0.0230816389
H 31 0.0230816389
H 32 0.0230816389
BOND ANGLES
12 1 8 C2 O3 C3 119.999
1 8 10 O3 C3 C3 120.001
1 8 23 O3 C3 HC 160.009
1 8 24 O3 C3 HC 80.000
8 1 12 C3 O3 C2 119.999
11 2 7 C2 O3 C3 120.001
2 7 9 O3 C3 C3 120.001
2 7 25 O3 C3 HC 159.999
2 7 26 O3 C3 HC 79.990
7 2 11 C3 O3 C2 120.001
11 5 6 C2 C3 C3 120.001
5 6 12 C3 C3 C2 120.001
5 6 17 C3 C3 HC 79.990
5 6 18 C3 C3 HC 159.999
15 5 6 HC C3 C3 79.990
5 6 12 C3 C3 C2 120.001
5 6 17 C3 C3 HC 79.990
5 6 18 C3 C3 HC 159.999
16 5 6 HC C3 C3 159.999
5 6 12 C3 C3 C2 120.001
5 6 17 C3 C3 HC 79.990
5 6 18 C3 C3 HC 159.999
6 5 11 C3 C3 C2 120.001
15 5 11 HC C3 C2 160.009
16 5 11 HC C3 C2 80.000
6 5 15 C3 C3 HC 79.990
11 5 15 C2 C3 HC 160.009
16 5 15 HC C3 HC 80.009
6 5 16 C3 C3 HC 159.999
11 5 16 C2 C3 HC 80.000
15 5 16 HC C3 HC 80.009
17 6 12 HC C3 C2 160.009
18 6 12 HC C3 C2 80.000
12 6 17 C2 C3 HC 160.009
18 6 17 HC C3 HC 80.009
12 6 18 C2 C3 HC 80.000
17 6 18 HC C3 HC 80.009
25 7 9 HC C3 C3 80.000
7 9 14 C3 C3 C3 119.999
7 9 19 C3 C3 HC 79.993
7 9 20 C3 C3 HC 160.002
26 7 9 HC C3 C3 160.009
7 9 14 C3 C3 C3 119.999
7 9 19 C3 C3 HC 79.993
7 9 20 C3 C3 HC 160.002
9 7 25 C3 C3 HC 80.000
26 7 25 HC C3 HC 80.009
9 7 26 C3 C3 HC 160.009
25 7 26 HC C3 HC 80.009
23 8 10 HC C3 C3 79.990
8 10 13 C3 C3 C3 120.001
8 10 21 C3 C3 HC 79.990
8 10 22 C3 C3 HC 159.999
24 8 10 HC C3 C3 159.999
8 10 13 C3 C3 C3 120.001
8 10 21 C3 C3 HC 79.990
8 10 22 C3 C3 HC 159.999
10 8 23 C3 C3 HC 79.990
24 8 23 HC C3 HC 80.009
10 8 24 C3 C3 HC 159.999
23 8 24 HC C3 HC 80.009
19 9 14 HC C3 C3 160.009
9 14 30 C3 C3 HC 90.001
9 14 31 C3 C3 HC 179.974
9 14 32 C3 C3 HC 89.999
20 9 14 HC C3 C3 80.000
9 14 30 C3 C3 HC 90.001
9 14 31 C3 C3 HC 179.974
9 14 32 C3 C3 HC 89.999
14 9 19 C3 C3 HC 160.009
20 9 19 HC C3 HC 80.009
14 9 20 C3 C3 HC 80.000
19 9 20 HC C3 HC 80.009
21 10 13 HC C3 C3 160.009
10 13 27 C3 C3 HC 90.001
10 13 28 C3 C3 HC 179.974
10 13 29 C3 C3 HC 89.999
22 10 13 HC C3 C3 80.000
10 13 27 C3 C3 HC 90.001
10 13 28 C3 C3 HC 179.974
10 13 29 C3 C3 HC 89.999
13 10 21 C3 C3 HC 160.009
22 10 21 HC C3 HC 80.009
13 10 22 C3 C3 HC 80.000
21 10 22 HC C3 HC 80.009
28 13 27 HC C3 HC 90.000
29 13 27 HC C3 HC 179.974
27 13 28 HC C3 HC 90.000
29 13 28 HC C3 HC 90.000
27 13 29 HC C3 HC 179.974
28 13 29 HC C3 HC 90.000
31 14 30 HC C3 HC 90.000
32 14 30 HC C3 HC 179.974
30 14 31 HC C3 HC 90.000
32 14 31 HC C3 HC 90.000
30 14 32 HC C3 HC 179.974
31 14 32 HC C3 HC 90.000
TORSION ANGLES
12 1 8 10 179.974
12 1 8 23 0.026
12 1 8 24 0.026
8 1 12 3 0.026
8 1 12 6 179.974
11 2 7 9 179.974
11 2 7 25 0.026
11 2 7 26 0.026
7 2 11 4 0.026
7 2 11 5 179.974
11 5 6 12 179.974
11 5 6 17 0.026
11 5 6 18 0.026
15 5 6 12 0.026
15 5 6 17 179.974
15 5 6 18 179.974
16 5 6 12 0.026
16 5 6 17 179.974
16 5 6 18 179.974
6 5 11 2 179.974
6 5 11 4 0.026
15 5 11 2 0.026
15 5 11 4 179.974
16 5 11 2 0.026
16 5 11 4 179.974
5 6 12 1 179.974
5 6 12 3 0.026
17 6 12 1 0.026
17 6 12 3 179.974
18 6 12 1 0.026
18 6 12 3 179.974
2 7 9 14 179.974
2 7 9 19 0.026
2 7 9 20 0.026
25 7 9 14 0.026
25 7 9 19 179.974
25 7 9 20 179.974
26 7 9 14 0.026
26 7 9 19 179.974
26 7 9 20 179.974
1 8 10 13 179.974
1 8 10 21 0.026
1 8 10 22 0.026
23 8 10 13 0.026
23 8 10 21 179.974
23 8 10 22 179.974
24 8 10 13 0.026
24 8 10 21 179.974
24 8 10 22 179.974
7 9 14 30 179.974
7 9 14 31 0.026
7 9 14 32 0.026
19 9 14 30 0.026
19 9 14 31 179.974
19 9 14 32 179.974
20 9 14 30 0.026
20 9 14 31 179.974
20 9 14 32 179.974
8 10 13 27 179.974
8 10 13 28 0.026
8 10 13 29 0.026
21 10 13 27 0.026
21 10 13 28 179.974
21 10 13 29 179.974
22 10 13 27 0.026
22 10 13 28 179.974
22 10 13 29 179.974
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