2,4-dimethylphenol
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 | 439.00 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 448.92 | 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 | 113.91 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 147.17 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 168.67 | J mol-1 K-1 |
| Rotational | 120.81 | J mol-1 K-1 |
| Vibrational | 95.85 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 385.32 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -167.63 | kJ mol-1 |
Molecular Orbitals
- 1 -552.07 eV View
- 2 -301.60 eV View
- 3 -300.83 eV View
- 4 -300.38 eV View
- 5 -300.12 eV View
- 6 -299.99 eV View
- 7 -299.94 eV View
- 8 -299.93 eV View
- 9 -299.79 eV View
- 10 -36.08 eV View
- 11 -29.75 eV View
- 12 -27.36 eV View
- 13 -26.45 eV View
- 14 -24.31 eV View
- 15 -23.54 eV View
- 16 -20.87 eV View
- 17 -19.76 eV View
- 18 -17.89 eV View
- 19 -16.69 eV View
- 20 -15.56 eV View
- 21 -15.21 eV View
- 22 -14.68 eV View
- 23 -14.59 eV View
- 24 -14.26 eV View
- 25 -13.97 eV View
- 26 -13.42 eV View
- 27 -13.38 eV View
- 28 -12.50 eV View
- 29 -11.61 eV View
- 30 -11.14 eV View
- 31 -10.76 eV View
- 32 -7.48 eV View
- 33 -6.26 eV View
- 34 7.27 eV View
- 35 7.60 eV View
- 36 13.42 eV View
- 37 15.07 eV View
- 38 16.10 eV View
- 39 16.69 eV View
- 40 17.23 eV View
- 41 18.51 eV View
- 42 19.01 eV View
- 43 19.27 eV View
- 44 19.35 eV View
- 45 19.83 eV View
- 46 20.11 eV View
- 47 20.31 eV View
- 48 20.85 eV View
- 49 21.65 eV View
- 50 23.88 eV View
- 51 24.46 eV View
- 52 25.17 eV View
- 53 25.89 eV View
- 54 30.24 eV View
- 55 31.26 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 77.77 cm-1 View
- 2 78.76 cm-1 View
- 3 121.71 cm-1 View
- 4 186.63 cm-1 View
- 5 309.67 cm-1 View
- 6 322.33 cm-1 View
- 7 362.24 cm-1 View
- 8 425.63 cm-1 View
- 9 451.87 cm-1 View
- 10 459.37 cm-1 View
- 11 515.30 cm-1 View
- 12 549.03 cm-1 View
- 13 589.28 cm-1 View
- 14 698.07 cm-1 View
- 15 762.12 cm-1 View
- 16 849.36 cm-1 View
- 17 886.89 cm-1 View
- 18 905.90 cm-1 View
- 19 970.64 cm-1 View
- 20 994.73 cm-1 View
- 21 1009.67 cm-1 View
- 22 1031.14 cm-1 View
- 23 1038.96 cm-1 View
- 24 1082.67 cm-1 View
- 25 1133.86 cm-1 View
- 26 1191.98 cm-1 View
- 27 1209.39 cm-1 View
- 28 1293.74 cm-1 View
- 29 1317.13 cm-1 View
- 30 1376.01 cm-1 View
- 31 1383.69 cm-1 View
- 32 1394.27 cm-1 View
- 33 1396.59 cm-1 View
- 34 1408.37 cm-1 View
- 35 1428.15 cm-1 View
- 36 1496.82 cm-1 View
- 37 1543.24 cm-1 View
- 38 1602.98 cm-1 View
- 39 1646.32 cm-1 View
- 40 1792.48 cm-1 View
- 41 1811.73 cm-1 View
- 42 3046.40 cm-1 View
- 43 3050.85 cm-1 View
- 44 3053.19 cm-1 View
- 45 3069.09 cm-1 View
- 46 3070.19 cm-1 View
- 47 3072.20 cm-1 View
- 48 3076.70 cm-1 View
- 49 3162.96 cm-1 View
- 50 3170.20 cm-1 View
- 51 3850.30 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | 5.36 | kJ mol-1 |
| Polar Solvation Energy | -12.44 | kJ mol-1 |
| Nonpolar Solvation Energy | 17.81 | kJ mol-1 |
| Surface Area | 116.53 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 1.80 | Debye |