CC(C)(C)N(Cl)[Cl+3]([O-])([O-])[O-]
Thermodynamics
| Enthalpy |
| Translational | 6.20 | kJ mol-1 |
| Rotational | 3.72 | kJ mol-1 |
| Vibrational | 388.15 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 398.06 | kJ mol-1 |
| Heat Capacity at Constant Pressure |
| Translational | 20.79 | J mol-1 K-1 |
| Rotational | 12.47 | J mol-1 K-1 |
| Vibrational | 154.24 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 187.50 | J mol-1 K-1 |
| Entropy |
| Translational | 174.12 | J mol-1 K-1 |
| Rotational | 126.57 | J mol-1 K-1 |
| Vibrational | 147.66 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 448.36 | J mol-1 K-1 |
| Other properties |
| Heat of Formation | -60.06 | kJ mol-1 |
19 18 0 0 0 0 0 0 0 0999 V2000
-0.0599 -0.1944 0.3852 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-1.0464 -1.1182 0.8902 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0946 -0.2660 -1.4403 N 0 0 0 0 0 0 0 0 0 0 0 0
1.3075 -0.6014 0.6144 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3777 -0.4411 -2.1904 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-1.1333 0.5149 -2.2430 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2974 -0.2116 -3.5806 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6542 1.9472 -2.4561 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4528 0.4854 -1.4797 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0677 0.2903 -4.1826 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6143 -1.2550 -3.4476 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3703 -0.2103 -4.1705 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2532 0.8898 -2.1171 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4415 1.1094 -0.5730 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7584 -0.5333 -1.1975 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5580 2.5018 -1.5103 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3765 2.4951 -3.0771 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3141 1.9854 -2.9746 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3045 1.1694 0.7692 O 0 0 0 0 0 0 0 0 0 0 0 0
2 1 1 0
3 1 1 0
4 1 1 0
5 3 1 0
6 3 1 0
7 6 1 0
8 6 1 0
9 6 1 0
10 7 1 0
11 7 1 0
12 7 1 0
13 9 1 0
14 9 1 0
15 9 1 0
16 8 1 0
17 8 1 0
18 8 1 0
19 1 1 0
M CHG 4 1 3 2 -1 4 -1 19 -1
M END