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 | 214.07 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 223.99 | 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 | 54.90 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 88.16 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 162.60 | J mol-1 K-1 |
| Rotational | 106.59 | J mol-1 K-1 |
| Vibrational | 48.93 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 318.12 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -392.17 | kJ mol-1 |
Molecular Orbitals
- 1 -552.21 eV View
- 2 -550.88 eV View
- 3 -416.99 eV View
- 4 -304.05 eV View
- 5 -302.16 eV View
- 6 -37.75 eV View
- 7 -34.48 eV View
- 8 -31.05 eV View
- 9 -25.05 eV View
- 10 -19.96 eV View
- 11 -17.88 eV View
- 12 -16.43 eV View
- 13 -15.89 eV View
- 14 -15.26 eV View
- 15 -13.89 eV View
- 16 -13.77 eV View
- 17 -12.24 eV View
- 18 -9.52 eV View
- 19 -9.32 eV View
- 20 -8.97 eV View
- 21 8.33 eV View
- 22 15.04 eV View
- 23 16.40 eV View
- 24 17.32 eV View
- 25 18.04 eV View
- 26 18.97 eV View
- 27 19.92 eV View
- 28 20.73 eV View
- 29 21.97 eV View
- 30 27.19 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 49.82 cm-1 View
- 2 215.55 cm-1 View
- 3 274.21 cm-1 View
- 4 393.99 cm-1 View
- 5 476.84 cm-1 View
- 6 526.44 cm-1 View
- 7 649.43 cm-1 View
- 8 887.42 cm-1 View
- 9 902.37 cm-1 View
- 10 1046.88 cm-1 View
- 11 1081.81 cm-1 View
- 12 1150.40 cm-1 View
- 13 1161.73 cm-1 View
- 14 1242.54 cm-1 View
- 15 1297.12 cm-1 View
- 16 1365.09 cm-1 View
- 17 1455.01 cm-1 View
- 18 1660.29 cm-1 View
- 19 1976.17 cm-1 View
- 20 2912.57 cm-1 View
- 21 2986.87 cm-1 View
- 22 3395.45 cm-1 View
- 23 3525.39 cm-1 View
- 24 3851.63 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -16.40 | kJ mol-1 |
| Polar Solvation Energy | -26.21 | kJ mol-1 |
| Nonpolar Solvation Energy | 9.82 | kJ mol-1 |
| Surface Area | 91.90 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 2.55 | Debye |