C=C/C=C/C
Thermodynamics
| Enthalpy |
| Translational | 6.20 | kJ mol-1 |
| Rotational | 3.72 | kJ mol-1 |
| Vibrational | 302.71 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 312.63 | 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 | 64.68 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 97.94 | J mol-1 K-1 |
| Entropy |
| Translational | 161.38 | J mol-1 K-1 |
| Rotational | 106.00 | J mol-1 K-1 |
| Vibrational | 55.17 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 322.55 | J mol-1 K-1 |
| Other properties |
| Heat of Formation | 86.57 | kJ mol-1 |
13 12 0 0 0 0 0 0 0 0999 V2000
2.2204 0.1711 -0.0226 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8955 -0.4770 -0.1265 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2525 0.2097 -0.1316 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5457 -0.4500 -0.2267 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6932 0.2207 -0.1451 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7011 -0.0959 0.9289 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1676 1.2676 -0.0711 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8828 -0.1659 -0.8313 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8976 -1.5724 -0.1946 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2560 1.3057 -0.0608 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5388 -1.5380 -0.3689 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7447 1.2966 0.0005 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6608 -0.2664 -0.2151 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 2 0
3 4 1 0
4 5 2 0
6 1 1 0
7 1 1 0
8 1 1 0
9 2 1 0
10 3 1 0
11 4 1 0
12 5 1 0
13 5 1 0
M END