On1oo1
Thermodynamics
| Enthalpy |
| Translational | 6.20 | kJ mol-1 |
| Rotational | 3.72 | kJ mol-1 |
| Vibrational | 62.08 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 71.99 | 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 | 33.01 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 66.27 | J mol-1 K-1 |
| Entropy |
| Translational | 160.42 | J mol-1 K-1 |
| Rotational | 96.54 | J mol-1 K-1 |
| Vibrational | 23.59 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 280.55 | J mol-1 K-1 |
| Other properties |
| Heat of Formation | 236.69 | kJ mol-1 |
5 5 0 0 0 0 0 0 0 0999 V2000
-0.4423 0.4394 0.0311 N 0 0 0 0 0 0 0 0 0 0 0 0
0.7066 1.2293 -0.1972 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7758 -0.0979 -1.1860 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7329 -0.2264 0.4364 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7283 -0.0947 -1.1811 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
1 3 1 0
1 4 1 0
2 4 1 0
5 3 1 0
M END