acetic acid acetic 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 | 350.65 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 360.56 | 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 | 115.63 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 148.88 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 168.46 | J mol-1 K-1 |
| Rotational | 120.91 | J mol-1 K-1 |
| Vibrational | 141.28 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 430.65 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -889.32 | kJ mol-1 |
Molecular Orbitals
- 1 -551.76 eV View
- 2 -551.74 eV View
- 3 -550.69 eV View
- 4 -550.66 eV View
- 5 -304.28 eV View
- 6 -304.28 eV View
- 7 -301.26 eV View
- 8 -301.26 eV View
- 9 -37.78 eV View
- 10 -37.47 eV View
- 11 -34.55 eV View
- 12 -34.17 eV View
- 13 -26.58 eV View
- 14 -26.43 eV View
- 15 -20.65 eV View
- 16 -19.87 eV View
- 17 -17.49 eV View
- 18 -16.42 eV View
- 19 -15.99 eV View
- 20 -15.99 eV View
- 21 -15.95 eV View
- 22 -15.73 eV View
- 23 -14.41 eV View
- 24 -13.92 eV View
- 25 -13.34 eV View
- 26 -13.28 eV View
- 27 -12.96 eV View
- 28 -11.29 eV View
- 29 -9.35 eV View
- 30 -9.24 eV View
- 31 -9.20 eV View
- 32 -9.16 eV View
- 33 8.18 eV View
- 34 8.20 eV View
- 35 15.78 eV View
- 36 15.84 eV View
- 37 17.17 eV View
- 38 17.76 eV View
- 39 18.84 eV View
- 40 18.84 eV View
- 41 19.35 eV View
- 42 19.39 eV View
- 43 19.75 eV View
- 44 20.48 eV View
- 45 22.07 eV View
- 46 22.34 eV View
- 47 26.62 eV View
- 48 27.74 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 41.55 cm-1 View
- 2 54.80 cm-1 View
- 3 55.76 cm-1 View
- 4 69.26 cm-1 View
- 5 83.43 cm-1 View
- 6 135.80 cm-1 View
- 7 221.77 cm-1 View
- 8 285.69 cm-1 View
- 9 425.01 cm-1 View
- 10 499.52 cm-1 View
- 11 558.24 cm-1 View
- 12 562.18 cm-1 View
- 13 564.72 cm-1 View
- 14 573.45 cm-1 View
- 15 657.08 cm-1 View
- 16 688.98 cm-1 View
- 17 959.94 cm-1 View
- 18 973.27 cm-1 View
- 19 992.33 cm-1 View
- 20 1000.66 cm-1 View
- 21 1016.69 cm-1 View
- 22 1022.75 cm-1 View
- 23 1271.77 cm-1 View
- 24 1290.72 cm-1 View
- 25 1359.15 cm-1 View
- 26 1360.36 cm-1 View
- 27 1384.64 cm-1 View
- 28 1384.97 cm-1 View
- 29 1390.74 cm-1 View
- 30 1391.80 cm-1 View
- 31 1494.22 cm-1 View
- 32 1499.37 cm-1 View
- 33 1917.48 cm-1 View
- 34 1947.30 cm-1 View
- 35 3081.46 cm-1 View
- 36 3081.78 cm-1 View
- 37 3090.07 cm-1 View
- 38 3091.10 cm-1 View
- 39 3175.70 cm-1 View
- 40 3176.00 cm-1 View
- 41 3734.31 cm-1 View
- 42 3770.35 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -11.25 | kJ mol-1 |
| Polar Solvation Energy | -24.91 | kJ mol-1 |
| Nonpolar Solvation Energy | 13.63 | kJ mol-1 |
| Surface Area | 133.82 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 0.18 | Debye |