NCl(=O)=O
Thermodynamics
| Enthalpy |
| Translational | 6.20 | kJ mol-1 |
| Rotational | 3.72 | kJ mol-1 |
| Vibrational | 96.43 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 106.34 | 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 | 35.15 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 68.41 | J mol-1 K-1 |
| Entropy |
| Translational | 163.85 | J mol-1 K-1 |
| Rotational | 101.25 | J mol-1 K-1 |
| Vibrational | 24.35 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 289.45 | J mol-1 K-1 |
| Other properties |
| Heat of Formation | -253.74 | kJ mol-1 |
6 5 0 0 0 0 0 0 0 0999 V2000
1.0713 -0.4401 0.2808 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2550 -0.1290 -0.0080 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-0.9731 -1.2222 -0.4857 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3612 1.1915 -1.0726 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.0288 1.2896 -1.8211 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3870 1.8304 -1.2911 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
2 3 2 0
2 4 1 0
5 4 1 0
6 4 1 0
M END