aniline nitrous 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 | 385.20 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 395.11 | 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 | 130.61 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 163.87 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 170.38 | J mol-1 K-1 |
| Rotational | 126.02 | J mol-1 K-1 |
| Vibrational | 174.81 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 471.21 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | 25.34 | kJ mol-1 |
Molecular Orbitals
- 1 -553.97 eV View
- 2 -553.56 eV View
- 3 -422.97 eV View
- 4 -417.57 eV View
- 5 -301.69 eV View
- 6 -300.45 eV View
- 7 -300.44 eV View
- 8 -300.16 eV View
- 9 -300.15 eV View
- 10 -300.07 eV View
- 11 -41.90 eV View
- 12 -36.01 eV View
- 13 -31.87 eV View
- 14 -29.44 eV View
- 15 -26.30 eV View
- 16 -25.56 eV View
- 17 -23.65 eV View
- 18 -21.36 eV View
- 19 -20.78 eV View
- 20 -18.00 eV View
- 21 -17.86 eV View
- 22 -17.33 eV View
- 23 -17.22 eV View
- 24 -16.43 eV View
- 25 -16.22 eV View
- 26 -14.88 eV View
- 27 -14.86 eV View
- 28 -14.63 eV View
- 29 -13.53 eV View
- 30 -12.53 eV View
- 31 -12.26 eV View
- 32 -11.98 eV View
- 33 -10.84 eV View
- 34 -10.73 eV View
- 35 -9.41 eV View
- 36 -8.02 eV View
- 37 -6.79 eV View
- 38 6.73 eV View
- 39 7.03 eV View
- 40 7.23 eV View
- 41 13.44 eV View
- 42 15.08 eV View
- 43 15.66 eV View
- 44 16.64 eV View
- 45 16.75 eV View
- 46 17.83 eV View
- 47 18.19 eV View
- 48 19.07 eV View
- 49 19.43 eV View
- 50 19.60 eV View
- 51 20.27 eV View
- 52 23.62 eV View
- 53 23.71 eV View
- 54 24.27 eV View
- 55 24.43 eV View
- 56 24.69 eV View
- 57 29.60 eV View
- 58 30.92 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 14.07 cm-1 View
- 2 22.30 cm-1 View
- 3 27.10 cm-1 View
- 4 54.28 cm-1 View
- 5 91.04 cm-1 View
- 6 116.34 cm-1 View
- 7 198.70 cm-1 View
- 8 260.26 cm-1 View
- 9 357.28 cm-1 View
- 10 411.65 cm-1 View
- 11 467.25 cm-1 View
- 12 522.22 cm-1 View
- 13 537.14 cm-1 View
- 14 623.59 cm-1 View
- 15 629.44 cm-1 View
- 16 634.49 cm-1 View
- 17 770.71 cm-1 View
- 18 841.98 cm-1 View
- 19 865.58 cm-1 View
- 20 912.51 cm-1 View
- 21 972.16 cm-1 View
- 22 999.76 cm-1 View
- 23 1019.06 cm-1 View
- 24 1020.99 cm-1 View
- 25 1048.40 cm-1 View
- 26 1084.91 cm-1 View
- 27 1114.97 cm-1 View
- 28 1123.97 cm-1 View
- 29 1157.49 cm-1 View
- 30 1168.56 cm-1 View
- 31 1237.48 cm-1 View
- 32 1327.22 cm-1 View
- 33 1365.81 cm-1 View
- 34 1380.27 cm-1 View
- 35 1551.62 cm-1 View
- 36 1578.34 cm-1 View
- 37 1675.87 cm-1 View
- 38 1776.03 cm-1 View
- 39 1789.78 cm-1 View
- 40 1998.23 cm-1 View
- 41 3048.43 cm-1 View
- 42 3050.92 cm-1 View
- 43 3060.81 cm-1 View
- 44 3065.88 cm-1 View
- 45 3078.82 cm-1 View
- 46 3409.86 cm-1 View
- 47 3530.17 cm-1 View
- 48 3736.92 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | 2.90 | kJ mol-1 |
| Polar Solvation Energy | -16.53 | kJ mol-1 |
| Nonpolar Solvation Energy | 19.44 | kJ mol-1 |
| Surface Area | 140.34 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 2.79 | Debye |