Naphthalene
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 | 395.57 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 405.49 | 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 | 96.64 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 129.90 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 169.26 | J mol-1 K-1 |
| Rotational | 121.01 | J mol-1 K-1 |
| Vibrational | 56.50 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 346.77 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | 171.03 | kJ mol-1 |
Molecular Orbitals
- 1 -300.39 eV View
- 2 -300.36 eV View
- 3 -300.10 eV View
- 4 -300.10 eV View
- 5 -300.10 eV View
- 6 -300.10 eV View
- 7 -300.09 eV View
- 8 -300.09 eV View
- 9 -300.09 eV View
- 10 -300.09 eV View
- 11 -30.39 eV View
- 12 -28.57 eV View
- 13 -26.88 eV View
- 14 -25.77 eV View
- 15 -25.03 eV View
- 16 -21.57 eV View
- 17 -21.03 eV View
- 18 -20.57 eV View
- 19 -17.60 eV View
- 20 -17.54 eV View
- 21 -16.91 eV View
- 22 -15.45 eV View
- 23 -14.96 eV View
- 24 -14.34 eV View
- 25 -14.07 eV View
- 26 -13.76 eV View
- 27 -13.31 eV View
- 28 -12.54 eV View
- 29 -11.34 eV View
- 30 -11.21 eV View
- 31 -10.83 eV View
- 32 -8.98 eV View
- 33 -7.16 eV View
- 34 -6.20 eV View
- 35 5.64 eV View
- 36 6.81 eV View
- 37 8.93 eV View
- 38 11.40 eV View
- 39 15.12 eV View
- 40 15.53 eV View
- 41 16.31 eV View
- 42 16.47 eV View
- 43 17.84 eV View
- 44 18.74 eV View
- 45 19.30 eV View
- 46 19.68 eV View
- 47 19.83 eV View
- 48 20.07 eV View
- 49 21.89 eV View
- 50 23.03 eV View
- 51 23.31 eV View
- 52 24.05 eV View
- 53 25.74 eV View
- 54 25.99 eV View
- 55 27.87 eV View
- 56 28.31 eV View
- 57 31.69 eV View
- 58 31.92 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 155.93 cm-1 View
- 2 164.28 cm-1 View
- 3 338.01 cm-1 View
- 4 389.70 cm-1 View
- 5 428.48 cm-1 View
- 6 464.29 cm-1 View
- 7 520.18 cm-1 View
- 8 523.22 cm-1 View
- 9 544.49 cm-1 View
- 10 636.37 cm-1 View
- 11 744.39 cm-1 View
- 12 748.88 cm-1 View
- 13 800.19 cm-1 View
- 14 807.54 cm-1 View
- 15 851.06 cm-1 View
- 16 910.46 cm-1 View
- 17 911.95 cm-1 View
- 18 918.87 cm-1 View
- 19 953.93 cm-1 View
- 20 980.54 cm-1 View
- 21 1002.39 cm-1 View
- 22 1018.99 cm-1 View
- 23 1087.42 cm-1 View
- 24 1112.96 cm-1 View
- 25 1122.94 cm-1 View
- 26 1126.54 cm-1 View
- 27 1157.75 cm-1 View
- 28 1157.90 cm-1 View
- 29 1185.78 cm-1 View
- 30 1229.59 cm-1 View
- 31 1250.74 cm-1 View
- 32 1408.07 cm-1 View
- 33 1435.16 cm-1 View
- 34 1488.12 cm-1 View
- 35 1577.40 cm-1 View
- 36 1590.46 cm-1 View
- 37 1677.58 cm-1 View
- 38 1777.60 cm-1 View
- 39 1795.02 cm-1 View
- 40 1825.50 cm-1 View
- 41 3049.61 cm-1 View
- 42 3050.65 cm-1 View
- 43 3052.91 cm-1 View
- 44 3054.41 cm-1 View
- 45 3063.45 cm-1 View
- 46 3064.65 cm-1 View
- 47 3074.99 cm-1 View
- 48 3075.16 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | 16.55 | kJ mol-1 |
| Polar Solvation Energy | -7.79 | kJ mol-1 |
| Nonpolar Solvation Energy | 24.33 | kJ mol-1 |
| Surface Area | 107.33 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 0.08 | Debye |