Prop-2-enoic acid
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 | 181.34 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 191.26 | 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 | 49.05 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 82.30 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 162.09 | J mol-1 K-1 |
| Rotational | 105.55 | J mol-1 K-1 |
| Vibrational | 38.03 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 305.67 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -314.88 | kJ mol-1 |
Molecular Orbitals
- 1 -552.07 eV View
- 2 -550.78 eV View
- 3 -303.99 eV View
- 4 -300.85 eV View
- 5 -300.78 eV View
- 6 -37.63 eV View
- 7 -34.35 eV View
- 8 -27.80 eV View
- 9 -22.73 eV View
- 10 -19.03 eV View
- 11 -17.62 eV View
- 12 -15.93 eV View
- 13 -14.88 eV View
- 14 -14.71 eV View
- 15 -13.97 eV View
- 16 -12.13 eV View
- 17 -10.02 eV View
- 18 -9.21 eV View
- 19 -8.70 eV View
- 20 6.18 eV View
- 21 11.06 eV View
- 22 15.04 eV View
- 23 17.10 eV View
- 24 17.92 eV View
- 25 18.51 eV View
- 26 20.66 eV View
- 27 24.34 eV View
- 28 25.50 eV View
- 29 29.20 eV View
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 | -6.72 | kJ mol-1 |
| Polar Solvation Energy | -19.23 | kJ mol-1 |
| Nonpolar Solvation Energy | 12.50 | kJ mol-1 |
| Surface Area | 86.56 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 2.24 | Debye |