1-chloropropane
Molecule Viewer
Thermodynamics at 298.15 K and standard pressure
| Enthalpy | ||
| Property | Value | Unit |
| Translational | 6.20 | kJ mol-1 |
| Rotational | 3.72 | kJ mol-1 |
| Vibrational | 185.51 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 195.42 | kJ mol-1 |
| Heat Capacity at Constant Pressure | ||
| Property | Value | Unit |
| Translational | 20.79 | J mol-1 K-1 |
| Rotational | 12.47 | J mol-1 K-1 |
| Vibrational | 44.58 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 77.83 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 162.76 | J mol-1 K-1 |
| Rotational | 104.43 | J mol-1 K-1 |
| Vibrational | 36.91 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 304.10 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | 226.45 | kJ mol-1 |
Molecular Orbitals
- 1 -2821.44 eV View
- 2 -301.12 eV View
- 3 -300.65 eV View
- 4 -300.04 eV View
- 5 -282.59 eV View
- 6 -213.01 eV View
- 7 -212.86 eV View
- 8 -212.81 eV View
- 9 -31.20 eV View
- 10 -27.48 eV View
- 11 -23.46 eV View
- 12 -18.69 eV View
- 13 -16.35 eV View
- 14 -15.62 eV View
- 15 -14.48 eV View
- 16 -13.13 eV View
- 17 -13.07 eV View
- 18 -12.09 eV View
- 19 -11.75 eV View
- 20 -6.74 eV View
- 21 6.39 eV View
- 22 14.35 eV View
- 23 16.56 eV View
- 24 16.80 eV View
- 25 19.29 eV View
- 26 20.10 eV View
- 27 20.56 eV View
- 28 20.68 eV View
- 29 22.77 eV View
Vibrational Frequencies
| Vibration |
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| Vectors |
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| Balls |
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- 1 130.43 cm-1 View
- 2 198.70 cm-1 View
- 3 208.28 cm-1 View
- 4 534.68 cm-1 View
- 5 674.40 cm-1 View
- 6 762.59 cm-1 View
- 7 917.77 cm-1 View
- 8 983.02 cm-1 View
- 9 1036.85 cm-1 View
- 10 1097.57 cm-1 View
- 11 1114.99 cm-1 View
- 12 1334.62 cm-1 View
- 13 1388.87 cm-1 View
- 14 1402.55 cm-1 View
- 15 1404.30 cm-1 View
- 16 1472.70 cm-1 View
- 17 2923.29 cm-1 View
- 18 3017.91 cm-1 View
- 19 3080.00 cm-1 View
- 20 3088.91 cm-1 View
- 21 3184.11 cm-1 View