O.O
Thermodynamics
| Enthalpy |
| Translational | 6.20 | kJ mol-1 |
| Rotational | 3.72 | kJ mol-1 |
| Vibrational | 130.67 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 140.58 | 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 | 47.10 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 80.36 | J mol-1 K-1 |
| Entropy |
| Translational | 153.44 | J mol-1 K-1 |
| Rotational | 89.16 | J mol-1 K-1 |
| Vibrational | 66.10 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 308.71 | J mol-1 K-1 |
| Other properties |
| Heat of Formation | -455.40 | kJ mol-1 |
6 4 0 0 0 0 0 0 0 0999 V2000
-3.5452 1.8203 -1.0295 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3311 2.1514 -1.8958 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8781 2.1427 -0.4323 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1216 3.5395 -1.7179 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0795 4.4891 -1.7450 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2558 3.2009 -1.9174 H 0 0 0 0 0 0 0 0 0 0 0 0
1 3 1 0
2 1 1 0
5 4 1 0
6 4 1 0
M END