Oxalonitrile
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 | 291.04 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 300.95 | 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 | 53.34 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 86.60 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 159.82 | J mol-1 K-1 |
| Rotational | 101.71 | J mol-1 K-1 |
| Vibrational | 44.07 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 305.60 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -15.36 | kJ mol-1 |
Molecular Orbitals
- 1 -416.41 eV View
- 2 -416.41 eV View
- 3 -301.30 eV View
- 4 -301.29 eV View
- 5 -31.00 eV View
- 6 -30.13 eV View
- 7 -24.64 eV View
- 8 -21.09 eV View
- 9 -17.20 eV View
- 10 -16.28 eV View
- 11 -15.65 eV View
- 12 -15.14 eV View
- 13 -12.94 eV View
- 14 -12.64 eV View
- 15 -12.30 eV View
- 16 -8.79 eV View
- 17 -8.61 eV View
- 18 15.43 eV View
- 19 16.42 eV View
- 20 17.63 eV View
- 21 18.42 eV View
- 22 18.97 eV View
- 23 18.97 eV View
- 24 19.75 eV View
- 25 21.03 eV View
- 26 21.08 eV View
- 27 21.10 eV View
- 28 22.12 eV View
Aqueous Solvation Energy at 298.15 K
| Surface |
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| Dipole |
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| Translucent Molecule |
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| Property | Value | Unit |
| Total Solvation Energy | -4.74 | kJ mol-1 |
| Polar Solvation Energy | -17.29 | kJ mol-1 |
| Nonpolar Solvation Energy | 12.54 | kJ mol-1 |
| Surface Area | 81.56 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 2.47 | Debye |