[c-]12[c-]3[c-]1[c-]23
Thermodynamics
| Enthalpy |
| Translational | 6.20 | kJ mol-1 |
| Rotational | 3.72 | kJ mol-1 |
| Vibrational | 38.52 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 48.43 | 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 | 10.11 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 43.37 | J mol-1 K-1 |
| Entropy |
| Translational | 157.03 | J mol-1 K-1 |
| Rotational | 90.16 | J mol-1 K-1 |
| Vibrational | 2.92 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 250.11 | J mol-1 K-1 |
| Other properties |
| Heat of Formation | 4358.31 | kJ mol-1 |
4 6 0 0 0 0 0 0 0 0999 V2000
0.6668 -0.6492 0.1121 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8160 -0.3336 0.3363 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1002 0.1952 -0.9113 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2320 0.7768 0.4671 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
4 1 1 0
3 1 1 0
2 3 1 0
3 4 1 0
2 4 1 0
M CHG 4 1 -1 2 -1 3 -1 4 -1
M END