Propa-1,2-diene
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 | 145.77 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 155.69 | 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 | 25.15 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 58.41 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 154.76 | J mol-1 K-1 |
| Rotational | 87.12 | J mol-1 K-1 |
| Vibrational | 12.24 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 254.11 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | 196.73 | kJ mol-1 |
Molecular Orbitals
- 1 -300.13 eV View
- 2 -299.98 eV View
- 3 -299.98 eV View
- 4 -27.55 eV View
- 5 -24.42 eV View
- 6 -18.05 eV View
- 7 -15.39 eV View
- 8 -15.27 eV View
- 9 -15.27 eV View
- 10 -8.73 eV View
- 11 -8.73 eV View
- 12 8.58 eV View
- 13 8.58 eV View
- 14 17.94 eV View
- 15 19.07 eV View
- 16 21.89 eV View
- 17 22.27 eV View
- 18 22.28 eV View
- 19 35.71 eV View
Vibrational Frequencies
| Vibration |
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| Balls |
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Aqueous Solvation Energy at 298.15 K
| Surface |
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| Dipole |
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| Translucent Molecule |
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| Property | Value | Unit |
| Total Solvation Energy | 5.68 | kJ mol-1 |
| Polar Solvation Energy | -2.62 | kJ mol-1 |
| Nonpolar Solvation Energy | 8.28 | kJ mol-1 |
| Surface Area | 75.24 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 0.00 | Debye |