oxidane methanol
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 | 206.57 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 216.48 | 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 | 60.84 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 94.10 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 157.54 | J mol-1 K-1 |
| Rotational | 101.72 | J mol-1 K-1 |
| Vibrational | 85.15 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 344.41 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -448.05 | kJ mol-1 |
Molecular Orbitals
- 1 -551.48 eV View
- 2 -550.13 eV View
- 3 -302.01 eV View
- 4 -35.65 eV View
- 5 -34.03 eV View
- 6 -24.17 eV View
- 7 -17.40 eV View
- 8 -16.57 eV View
- 9 -16.01 eV View
- 10 -14.61 eV View
- 11 -11.81 eV View
- 12 -11.56 eV View
- 13 -10.15 eV View
- 14 -10.03 eV View
- 15 15.79 eV View
- 16 17.08 eV View
- 17 17.99 eV View
- 18 18.81 eV View
- 19 19.45 eV View
- 20 20.90 eV View
- 21 21.08 eV View
Jmol._Canvas2D (JSmol) "jmol_orbitals"[x]
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 75.55 cm-1 View
- 2 81.47 cm-1 View
- 3 97.91 cm-1 View
- 4 104.63 cm-1 View
- 5 173.87 cm-1 View
- 6 283.40 cm-1 View
- 7 301.19 cm-1 View
- 8 994.69 cm-1 View
- 9 1019.83 cm-1 View
- 10 1162.73 cm-1 View
- 11 1356.28 cm-1 View
- 12 1360.93 cm-1 View
- 13 1363.57 cm-1 View
- 14 1405.94 cm-1 View
- 15 1753.59 cm-1 View
- 16 3041.20 cm-1 View
- 17 3070.16 cm-1 View
- 18 3131.15 cm-1 View
- 19 3856.88 cm-1 View
- 20 3897.41 cm-1 View
- 21 3980.84 cm-1 View
Jmol._Canvas2D (JSmol) "jmol_vib"[x]
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -8.59 | kJ mol-1 |
| Polar Solvation Energy | -17.73 | kJ mol-1 |
| Nonpolar Solvation Energy | 9.15 | kJ mol-1 |
| Surface Area | 78.58 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 3.39 | Debye |
Jmol._Canvas2D (JSmol) "jmol_solvation"[x]