2-hydroxyethyl acetate
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 | 333.69 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 343.61 | 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 | 90.90 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 124.16 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 166.67 | J mol-1 K-1 |
| Rotational | 116.72 | J mol-1 K-1 |
| Vibrational | 97.72 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 381.12 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -580.04 | kJ mol-1 |
Molecular Orbitals
- 1 -552.31 eV View
- 2 -551.24 eV View
- 3 -551.04 eV View
- 4 -303.99 eV View
- 5 -302.43 eV View
- 6 -302.22 eV View
- 7 -301.52 eV View
- 8 -37.72 eV View
- 9 -35.51 eV View
- 10 -34.65 eV View
- 11 -26.74 eV View
- 12 -26.21 eV View
- 13 -22.38 eV View
- 14 -19.33 eV View
- 15 -17.77 eV View
- 16 -17.53 eV View
- 17 -16.64 eV View
- 18 -16.06 eV View
- 19 -15.26 eV View
- 20 -14.86 eV View
- 21 -14.15 eV View
- 22 -13.64 eV View
- 23 -12.83 eV View
- 24 -11.47 eV View
- 25 -11.25 eV View
- 26 -10.01 eV View
- 27 -9.18 eV View
- 28 -8.63 eV View
- 29 8.31 eV View
- 30 14.29 eV View
- 31 14.86 eV View
- 32 15.59 eV View
- 33 16.92 eV View
- 34 17.52 eV View
- 35 17.93 eV View
- 36 18.48 eV View
- 37 18.62 eV View
- 38 19.10 eV View
- 39 19.52 eV View
- 40 20.91 eV View
- 41 21.49 eV View
- 42 23.64 eV View
- 43 27.75 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 37.26 cm-1 View
- 2 58.49 cm-1 View
- 3 92.22 cm-1 View
- 4 120.14 cm-1 View
- 5 320.04 cm-1 View
- 6 355.08 cm-1 View
- 7 405.54 cm-1 View
- 8 491.86 cm-1 View
- 9 530.48 cm-1 View
- 10 554.32 cm-1 View
- 11 581.24 cm-1 View
- 12 854.86 cm-1 View
- 13 932.16 cm-1 View
- 14 949.80 cm-1 View
- 15 999.59 cm-1 View
- 16 1043.98 cm-1 View
- 17 1055.69 cm-1 View
- 18 1073.63 cm-1 View
- 19 1098.65 cm-1 View
- 20 1130.78 cm-1 View
- 21 1200.57 cm-1 View
- 22 1312.85 cm-1 View
- 23 1336.10 cm-1 View
- 24 1347.25 cm-1 View
- 25 1373.48 cm-1 View
- 26 1381.00 cm-1 View
- 27 1381.90 cm-1 View
- 28 1390.05 cm-1 View
- 29 1405.90 cm-1 View
- 30 1503.11 cm-1 View
- 31 1991.41 cm-1 View
- 32 2929.71 cm-1 View
- 33 2941.47 cm-1 View
- 34 3015.41 cm-1 View
- 35 3028.07 cm-1 View
- 36 3061.29 cm-1 View
- 37 3083.43 cm-1 View
- 38 3167.13 cm-1 View
- 39 3886.25 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -17.04 | kJ mol-1 |
| Polar Solvation Energy | -34.00 | kJ mol-1 |
| Nonpolar Solvation Energy | 16.97 | kJ mol-1 |
| Surface Area | 105.78 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 4.70 | Debye |