[O-][Cl+3]([O-])([O-])N(Cl)Cl
Thermodynamics
| Enthalpy |
| Translational | 6.20 | kJ mol-1 |
| Rotational | 3.72 | kJ mol-1 |
| Vibrational | 57.10 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 67.02 | 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 | 69.46 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 102.72 | J mol-1 K-1 |
| Entropy |
| Translational | 172.57 | J mol-1 K-1 |
| Rotational | 121.63 | J mol-1 K-1 |
| Vibrational | 61.86 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 356.06 | J mol-1 K-1 |
| Other properties |
| Heat of Formation | 29.61 | kJ mol-1 |
7 6 0 0 0 0 0 0 0 0999 V2000
-0.0034 -0.2984 0.2133 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-0.0117 -1.3648 -0.7572 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1115 1.2302 -0.7914 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.1989 -0.2280 1.0079 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2122 -0.1414 0.9726 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2025 2.6965 -0.0405 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-1.2187 1.2753 -2.0503 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
1 3 1 0
1 4 1 0
1 5 1 0
6 3 1 0
7 3 1 0
M CHG 4 1 3 2 -1 4 -1 5 -1
M END