Cc1ccccc1C
Thermodynamics
| Enthalpy |
| Translational | 6.20 | kJ mol-1 |
| Rotational | 3.72 | kJ mol-1 |
| Vibrational | 421.26 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 431.18 | 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 | 95.81 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 129.06 | J mol-1 K-1 |
| Entropy |
| Translational | 166.91 | J mol-1 K-1 |
| Rotational | 117.02 | J mol-1 K-1 |
| Vibrational | 82.72 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 366.66 | J mol-1 K-1 |
| Other properties |
| Heat of Formation | 22.83 | kJ mol-1 |
18 18 0 0 0 0 0 0 0 0999 V2000
0.0196 1.4077 0.0945 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2200 0.6872 0.1033 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1827 -0.7084 0.0108 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0255 -1.3822 -0.0872 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2189 -0.6655 -0.0960 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1937 0.7182 -0.0059 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0267 2.8917 0.1804 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5504 1.3445 0.2001 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1235 -1.2701 0.0137 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0405 -2.4742 -0.1603 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1750 -1.1927 -0.1762 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1316 1.2844 -0.0172 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6032 3.2150 1.0571 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5095 3.3165 -0.7100 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9768 3.3391 0.2580 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1666 1.1060 -0.6770 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0923 0.9989 1.0906 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4729 2.4414 0.2631 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
2 3 1 0
3 4 2 0
4 5 1 0
5 6 2 0
6 1 1 0
7 1 1 0
8 2 1 0
9 3 1 0
10 4 1 0
11 5 1 0
12 6 1 0
13 7 1 0
14 7 1 0
15 7 1 0
16 8 1 0
17 8 1 0
18 8 1 0
M END