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 | 395.73 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 405.64 | 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 | 121.00 | J mol-1 K-1 |
| Vibrational | 56.64 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 346.90 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | 170.10 | kJ mol-1 |
Molecular Orbitals
- 1 -300.36 eV View
- 2 -300.36 eV View
- 3 -300.11 eV View
- 4 -300.11 eV View
- 5 -300.10 eV View
- 6 -300.10 eV View
- 7 -300.08 eV View
- 8 -300.08 eV View
- 9 -300.08 eV View
- 10 -300.08 eV View
- 11 -30.40 eV View
- 12 -28.57 eV View
- 13 -26.89 eV View
- 14 -25.76 eV View
- 15 -25.04 eV View
- 16 -21.54 eV View
- 17 -21.06 eV View
- 18 -20.58 eV View
- 19 -17.61 eV View
- 20 -17.56 eV View
- 21 -16.88 eV View
- 22 -15.46 eV View
- 23 -14.99 eV View
- 24 -14.34 eV View
- 25 -14.05 eV View
- 26 -13.75 eV View
- 27 -13.32 eV View
- 28 -12.58 eV View
- 29 -11.32 eV View
- 30 -11.23 eV View
- 31 -10.83 eV View
- 32 -9.00 eV View
- 33 -7.15 eV View
- 34 -6.20 eV View
- 35 5.65 eV View
- 36 6.81 eV View
- 37 8.94 eV View
- 38 11.40 eV View
- 39 15.16 eV View
- 40 15.53 eV View
- 41 16.33 eV View
- 42 16.45 eV View
- 43 17.89 eV View
- 44 18.74 eV View
- 45 19.31 eV View
- 46 19.68 eV View
- 47 19.86 eV View
- 48 20.00 eV View
- 49 21.85 eV View
- 50 23.11 eV View
- 51 23.34 eV View
- 52 24.00 eV View
- 53 25.73 eV View
- 54 26.05 eV View
- 55 27.92 eV View
- 56 28.26 eV View
- 57 31.71 eV View
- 58 31.95 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 158.60 cm-1 View
- 2 159.44 cm-1 View
- 3 335.49 cm-1 View
- 4 390.57 cm-1 View
- 5 428.76 cm-1 View
- 6 462.31 cm-1 View
- 7 520.89 cm-1 View
- 8 524.06 cm-1 View
- 9 544.39 cm-1 View
- 10 635.79 cm-1 View
- 11 743.19 cm-1 View
- 12 749.20 cm-1 View
- 13 800.28 cm-1 View
- 14 808.58 cm-1 View
- 15 851.07 cm-1 View
- 16 911.11 cm-1 View
- 17 912.51 cm-1 View
- 18 919.04 cm-1 View
- 19 953.68 cm-1 View
- 20 980.43 cm-1 View
- 21 1001.62 cm-1 View
- 22 1018.22 cm-1 View
- 23 1087.28 cm-1 View
- 24 1114.87 cm-1 View
- 25 1123.83 cm-1 View
- 26 1127.73 cm-1 View
- 27 1155.88 cm-1 View
- 28 1157.06 cm-1 View
- 29 1185.87 cm-1 View
- 30 1231.95 cm-1 View
- 31 1253.83 cm-1 View
- 32 1411.58 cm-1 View
- 33 1436.53 cm-1 View
- 34 1486.20 cm-1 View
- 35 1581.75 cm-1 View
- 36 1593.52 cm-1 View
- 37 1677.82 cm-1 View
- 38 1778.61 cm-1 View
- 39 1796.81 cm-1 View
- 40 1828.31 cm-1 View
- 41 3050.57 cm-1 View
- 42 3051.54 cm-1 View
- 43 3052.64 cm-1 View
- 44 3054.08 cm-1 View
- 45 3064.46 cm-1 View
- 46 3065.27 cm-1 View
- 47 3076.38 cm-1 View
- 48 3076.43 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -4.69 | kJ mol-1 |
| Polar Solvation Energy | -8.65 | kJ mol-1 |
| Nonpolar Solvation Energy | 3.93 | kJ mol-1 |
| Surface Area | 125.86 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 0.01 | Debye |