CCO
Thermodynamics
| Enthalpy |
| Translational | 6.20 | kJ mol-1 |
| Rotational | 3.72 | kJ mol-1 |
| Vibrational | 211.37 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 221.29 | 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 | 32.01 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 65.27 | J mol-1 K-1 |
| Entropy |
| Translational | 156.51 | J mol-1 K-1 |
| Rotational | 93.41 | J mol-1 K-1 |
| Vibrational | 20.94 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 270.85 | J mol-1 K-1 |
| Other properties |
| Heat of Formation | -245.69 | kJ mol-1 |
9 8 0 0 0 0 0 0 0 0999 V2000
0.2672 -0.1905 -0.2806 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1421 -0.7172 -0.6805 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5390 -0.2802 -1.0204 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0581 -0.7277 0.6210 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6052 1.2611 0.0159 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4153 1.3305 0.7680 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9402 1.7974 -0.8891 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5022 2.0154 0.4317 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8738 1.5808 1.1891 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
5 1 1 0
6 5 1 0
7 5 1 0
8 5 1 0
9 8 1 0
M END