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 | 181.65 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 191.56 | 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 | 49.34 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 82.60 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 162.09 | J mol-1 K-1 |
| Rotational | 105.65 | J mol-1 K-1 |
| Vibrational | 37.48 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 305.22 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -302.76 | kJ mol-1 |
Molecular Orbitals
- 1 -552.38 eV View
- 2 -551.04 eV View
- 3 -303.99 eV View
- 4 -301.09 eV View
- 5 -301.05 eV View
- 6 -37.67 eV View
- 7 -34.59 eV View
- 8 -28.11 eV View
- 9 -22.49 eV View
- 10 -19.75 eV View
- 11 -18.18 eV View
- 12 -16.52 eV View
- 13 -14.77 eV View
- 14 -14.39 eV View
- 15 -13.87 eV View
- 16 -12.43 eV View
- 17 -10.12 eV View
- 18 -9.24 eV View
- 19 -8.90 eV View
- 20 6.47 eV View
- 21 9.85 eV View
- 22 15.58 eV View
- 23 16.26 eV View
- 24 17.12 eV View
- 25 18.40 eV View
- 26 21.47 eV View
- 27 23.51 eV View
- 28 26.69 eV View
- 29 28.28 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 86.63 cm-1 View
- 2 283.73 cm-1 View
- 3 383.77 cm-1 View
- 4 443.08 cm-1 View
- 5 508.94 cm-1 View
- 6 611.20 cm-1 View
- 7 734.03 cm-1 View
- 8 887.58 cm-1 View
- 9 936.82 cm-1 View
- 10 1036.91 cm-1 View
- 11 1050.23 cm-1 View
- 12 1198.72 cm-1 View
- 13 1299.35 cm-1 View
- 14 1327.38 cm-1 View
- 15 1446.61 cm-1 View
- 16 1847.26 cm-1 View
- 17 1997.90 cm-1 View
- 18 3048.13 cm-1 View
- 19 3127.08 cm-1 View
- 20 3140.90 cm-1 View
- 21 3884.27 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -20.10 | kJ mol-1 |
| Polar Solvation Energy | -31.03 | kJ mol-1 |
| Nonpolar Solvation Energy | 10.91 | kJ mol-1 |
| Surface Area | 85.40 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 5.56 | Debye |