Propane
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 | 273.28 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 283.19 | 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 | 37.38 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 70.64 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 155.96 | J mol-1 K-1 |
| Rotational | 94.72 | J mol-1 K-1 |
| Vibrational | 26.08 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 276.76 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -98.74 | kJ mol-1 |
Molecular Orbitals
- 1 -300.50 eV View
- 2 -300.20 eV View
- 3 -300.20 eV View
- 4 -27.71 eV View
- 5 -24.17 eV View
- 6 -20.80 eV View
- 7 -16.19 eV View
- 8 -15.49 eV View
- 9 -14.19 eV View
- 10 -13.58 eV View
- 11 -12.06 eV View
- 12 -11.92 eV View
- 13 -11.70 eV View
- 14 16.45 eV View
- 15 16.92 eV View
- 16 18.17 eV View
- 17 19.32 eV View
- 18 19.41 eV View
- 19 20.81 eV View
- 20 20.85 eV View
- 21 21.34 eV View
- 22 21.42 eV View
- 23 21.97 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 176.37 cm-1 View
- 2 210.35 cm-1 View
- 3 410.85 cm-1 View
- 4 802.62 cm-1 View
- 5 935.95 cm-1 View
- 6 955.94 cm-1 View
- 7 967.21 cm-1 View
- 8 1128.01 cm-1 View
- 9 1133.03 cm-1 View
- 10 1135.54 cm-1 View
- 11 1157.17 cm-1 View
- 12 1316.30 cm-1 View
- 13 1382.94 cm-1 View
- 14 1405.51 cm-1 View
- 15 1410.32 cm-1 View
- 16 1411.34 cm-1 View
- 17 1412.97 cm-1 View
- 18 1427.32 cm-1 View
- 19 1430.27 cm-1 View
- 20 2956.72 cm-1 View
- 21 3038.46 cm-1 View
- 22 3078.72 cm-1 View
- 23 3079.64 cm-1 View
- 24 3084.51 cm-1 View
- 25 3086.44 cm-1 View
- 26 3181.46 cm-1 View
- 27 3182.85 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | 11.57 | kJ mol-1 |
| Polar Solvation Energy | -0.52 | kJ mol-1 |
| Nonpolar Solvation Energy | 12.08 | kJ mol-1 |
| Surface Area | 73.86 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 0.01 | Debye |