|
2-Ethoxyethyl methacrylate |
|
|
|
ID: API-45599 CAS:2370-63-0 Supplier:APIchem SMILES:O(CCOC(=O)C(=C)C)CC ChemMol.com FORMULA: C8H14O3
MASS: 158.1950
EXACT MASS: 158.0942943
INTERATOMIC DISTANCES
O 1 O 2 O 3 C 4 C 5 C 6
------------------------------------------------------------------
O 1 0.0000
O 2 2.6458 0.0000
O 3 3.6056 1.7321 0.0000
C 4 1.0001 1.7320 3.0000 0.0000
C 5 1.7321 1.0000 2.0000 1.0000 0.0000
C 6 1.0000 3.4641 4.5826 1.7321 2.6458 0.0000
C 7 1.7320 4.3589 5.2915 2.6458 3.4641 1.0000
C 8 3.4642 1.0001 1.0000 2.6458 1.7321 4.3590
C 9 4.3590 1.7321 1.7320 3.4641 2.6458 5.1962
C 10 5.1962 2.6458 2.0000 4.3589 3.4641 6.0828
C 11 4.5826 2.0000 2.6457 3.6055 3.0000 5.2915
H 12 1.5968 1.4155 2.9561 0.6199 1.0812 2.1829
H 13 1.0812 2.1828 3.5888 0.6199 1.5967 1.4156
H 14 1.4156 1.5967 2.1944 1.0812 0.6199 2.4060
H 15 2.1829 1.0812 1.4333 1.5967 0.6199 3.1512
H 16 1.0812 3.1021 4.3997 1.4155 2.4059 0.6200
H 17 1.5967 3.8917 5.1245 2.1829 3.1512 0.6199
H 18 2.1114 4.6402 5.7167 2.9083 3.8121 1.1766
H 19 2.2900 4.9339 5.7745 3.2380 4.0130 1.6199
H 20 1.5200 4.1517 4.9081 2.5121 3.1995 1.1766
H 21 4.9156 2.5121 1.4955 4.1517 3.1995 5.8449
H 22 5.7415 3.2380 2.3715 4.9339 4.0130 6.6486
H 23 5.5323 2.9083 2.5557 4.6402 3.8121 6.3723
H 24 5.1928 2.6200 3.1407 4.2100 3.6200 5.8809
H 25 4.2029 1.7732 2.8292 3.2069 2.7430 4.8399
C 7 C 8 C 9 C 10 C 11 H 12
------------------------------------------------------------------
C 7 0.0000
C 8 5.1962 0.0000
C 9 6.0828 1.0000 0.0000
C 10 6.9282 1.7320 1.0000 0.0000
C 11 6.2450 1.7320 1.0000 1.7320 0.0000
H 12 3.1512 2.4060 3.1022 4.0507 3.1102 0.0000
H 13 2.4060 3.1512 3.8917 4.8281 3.8981 0.7970
H 14 3.1022 2.1829 3.1512 3.8917 3.5888 1.4514
H 15 3.8917 1.4156 2.4060 3.1022 2.9561 1.6887
H 16 1.5968 4.0507 4.8210 5.7469 4.8263 1.7320
H 17 1.0812 4.8282 5.6148 6.5338 5.6193 2.5291
H 18 0.6200 5.5323 6.3723 7.2581 6.4446 3.3355
H 19 0.6200 5.7415 6.6486 7.4715 6.8428 3.7599
H 20 0.6200 4.9156 5.8449 6.6399 6.1022 3.0828
H 21 6.6399 1.5200 1.1766 0.6200 2.1114 3.9245
H 22 7.4715 2.2900 1.6199 0.6200 2.2900 4.6496
H 23 7.2581 2.1114 1.1766 0.6200 1.5200 4.2642
H 24 6.8428 2.2900 1.4158 1.8397 0.6200 3.6980
H 25 5.8141 1.8397 1.4158 2.2901 0.6201 2.6629
H 13 H 14 H 15 H 16 H 17 H 18
------------------------------------------------------------------
H 13 0.0000
H 14 1.6887 0.0000
H 15 2.2062 0.7970 0.0000
H 16 0.9350 2.3120 2.9752 0.0000
H 17 1.7321 2.9752 3.6917 0.7971 0.0000
H 18 2.5475 3.5240 4.2935 1.6344 0.8924 0.0000
H 19 3.0231 3.6063 4.4026 2.2128 1.6309 0.8768
H 20 2.4199 2.7563 3.5531 1.7880 1.5200 1.2399
H 21 4.6701 3.5531 2.7563 5.5630 6.3338 7.0109
H 22 5.4200 4.4026 3.6063 6.3322 7.1146 7.8211
H 23 5.0576 4.2935 3.5240 5.9896 6.7849 7.5482
H 24 4.4781 4.2079 3.5650 5.3995 6.1882 7.0254
H 25 3.4288 3.3571 2.8258 4.3417 5.1262 5.9725
H 19 H 20 H 21 H 22 H 23 H 24
------------------------------------------------------------------
H 19 0.0000
H 20 0.8768 0.0000
H 21 7.1587 6.3082 0.0000
H 22 8.0020 7.1587 0.8768 0.0000
H 23 7.8211 7.0109 1.2399 0.8768 0.0000
H 24 7.4443 6.7127 2.3470 2.2901 1.4245 0.0000
H 25 6.4221 5.7189 2.5889 2.8736 2.1343 1.0739
H 25
-----------
H 25 0.0000
ATOMIC CHARGES
O 1 -0.3766857261
O 2 -0.4590773159
O 3 -0.2453480026
C 4 0.0818002384
C 5 0.1160214753
C 6 0.0449872614
C 7 -0.0415680615
C 8 0.3343838540
C 9 0.0264477853
C 10 -0.0335035236
C 11 -0.0889937426
H 12 0.0593617897
H 13 0.0593617897
H 14 0.0720705647
H 15 0.0720705647
H 16 0.0556904163
H 17 0.0556904163
H 18 0.0251719083
H 19 0.0251719083
H 20 0.0251719083
H 21 0.0279546319
H 22 0.0279546319
H 23 0.0279546319
H 24 0.0539552978
H 25 0.0539552978
BOND ANGLES
6 1 4 C3 O3 C3 120.001
1 4 5 O3 C3 C3 120.001
1 4 12 O3 C3 HC 159.999
1 4 13 O3 C3 HC 79.997
4 1 6 C3 O3 C3 120.001
1 6 7 O3 C3 C3 119.999
1 6 16 O3 C3 HC 79.993
1 6 17 O3 C3 HC 160.002
8 2 5 C2 O3 C3 120.001
2 5 14 O3 C3 HC 160.002
2 5 15 O3 C3 HC 80.000
5 2 8 C3 O3 C2 120.001
2 8 9 O3 C2 C2 120.001
12 4 5 HC C3 C3 80.000
4 5 14 C3 C3 HC 80.000
4 5 15 C3 C3 HC 160.002
13 4 5 HC C3 C3 160.002
4 5 14 C3 C3 HC 80.000
4 5 15 C3 C3 HC 160.002
5 4 12 C3 C3 HC 80.000
13 4 12 HC C3 HC 80.002
5 4 13 C3 C3 HC 160.002
12 4 13 HC C3 HC 80.002
15 5 14 HC C3 HC 80.002
14 5 15 HC C3 HC 80.002
16 6 7 HC C3 C3 160.009
6 7 18 C3 C3 HC 90.001
6 7 19 C3 C3 HC 179.974
6 7 20 C3 C3 HC 89.999
17 6 7 HC C3 C3 80.000
6 7 18 C3 C3 HC 90.001
6 7 19 C3 C3 HC 179.974
6 7 20 C3 C3 HC 89.999
7 6 16 C3 C3 HC 160.009
17 6 16 HC C3 HC 80.009
7 6 17 C3 C3 HC 80.000
16 6 17 HC C3 HC 80.009
19 7 18 HC C3 HC 90.000
20 7 18 HC C3 HC 179.974
18 7 19 HC C3 HC 90.000
20 7 19 HC C3 HC 90.000
18 7 20 HC C3 HC 179.974
19 7 20 HC C3 HC 90.000
11 9 10 C2 C2 C3 120.001
9 10 21 C2 C3 HC 89.999
9 10 22 C2 C3 HC 179.974
9 10 23 C2 C3 HC 90.001
10 9 11 C3 C2 C2 120.001
9 11 24 C2 C2 HC 120.002
9 11 25 C2 C2 HC 119.997
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
25 11 24 HC C2 HC 120.001
24 11 25 HC C2 HC 120.001
TORSION ANGLES
6 1 4 5 179.974
6 1 4 12 0.026
6 1 4 13 0.026
4 1 6 7 179.974
4 1 6 16 0.026
4 1 6 17 0.026
8 2 5 4 179.974
8 2 5 14 0.026
8 2 5 15 0.026
5 2 8 3 0.026
5 2 8 9 179.974
1 4 5 2 179.974
1 4 5 14 0.026
1 4 5 15 0.026
12 4 5 2 0.026
12 4 5 14 179.974
12 4 5 15 179.974
13 4 5 2 0.026
13 4 5 14 179.974
13 4 5 15 179.974
1 6 7 18 179.974
1 6 7 19 0.026
1 6 7 20 0.026
16 6 7 18 0.026
16 6 7 19 179.974
16 6 7 20 179.974
17 6 7 18 0.026
17 6 7 19 179.974
17 6 7 20 179.974
2 8 9 10 179.974
2 8 9 11 0.026
3 8 9 10 0.026
3 8 9 11 179.974
8 9 10 21 0.026
8 9 10 22 0.026
8 9 10 23 179.974
11 9 10 21 179.974
11 9 10 22 179.974
11 9 10 23 0.026
8 9 11 24 179.974
8 9 11 25 0.026
10 9 11 24 0.026
10 9 11 25 179.974
|