O=Cl(=O)NCl
Thermodynamics
| Enthalpy |
| Translational | 6.20 | kJ mol-1 |
| Rotational | 3.72 | kJ mol-1 |
| Vibrational | 74.69 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 84.61 | 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 | 45.94 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 79.19 | J mol-1 K-1 |
| Entropy |
| Translational | 168.13 | J mol-1 K-1 |
| Rotational | 111.94 | J mol-1 K-1 |
| Vibrational | 46.58 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 326.64 | J mol-1 K-1 |
| Other properties |
| Heat of Formation | -263.74 | kJ mol-1 |
6 5 0 0 0 0 0 0 0 0999 V2000
-0.7099 0.1938 0.1119 N 0 0 0 0 0 0 0 0 0 0 0 0
0.9538 0.1024 -0.3147 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-1.2867 1.0145 0.1812 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4723 -1.0951 0.9462 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1.5273 1.3673 -0.3844 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6716 -0.7657 0.5000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
3 1 1 0
4 1 1 0
5 2 2 0
6 2 2 0
M END