Carbonocyanidic 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 | 214.64 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 224.55 | 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 | 54.71 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 87.97 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 162.60 | J mol-1 K-1 |
| Rotational | 106.52 | J mol-1 K-1 |
| Vibrational | 46.28 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 315.40 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -386.68 | kJ mol-1 |
Molecular Orbitals
- 1 -552.21 eV View
- 2 -550.79 eV View
- 3 -417.37 eV View
- 4 -303.76 eV View
- 5 -302.32 eV View
- 6 -37.51 eV View
- 7 -34.41 eV View
- 8 -31.45 eV View
- 9 -25.03 eV View
- 10 -19.86 eV View
- 11 -18.37 eV View
- 12 -16.91 eV View
- 13 -16.11 eV View
- 14 -15.20 eV View
- 15 -13.74 eV View
- 16 -13.40 eV View
- 17 -12.24 eV View
- 18 -9.90 eV View
- 19 -9.08 eV View
- 20 -8.91 eV View
- 21 8.51 eV View
- 22 15.32 eV View
- 23 16.30 eV View
- 24 17.25 eV View
- 25 17.45 eV View
- 26 18.38 eV View
- 27 18.91 eV View
- 28 20.48 eV View
- 29 22.98 eV View
- 30 27.60 eV View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -21.48 | kJ mol-1 |
| Polar Solvation Energy | -34.11 | kJ mol-1 |
| Nonpolar Solvation Energy | 12.62 | kJ mol-1 |
| Surface Area | 85.50 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 5.26 | Debye |