- InChI
- InChI=1S/C3H6N2O3/c1-3(2,4-6)5(7)8/h1-2H3
- InChI Key
- MYRROMXOABKDLG-UHFFFAOYSA-N
- Formula
- C3H6N2O3
- SMILES
- CC(C)(N=O)[N+](=O)[O-]
- Molecular Weight1
- 118.09
- CAS
- 5275-46-7
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -292.95 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 46.66 | kJ/mol | Joback Calculated Property |
| IE | 9.90 ± 0.10 | eV | NIST |
| log10WS | -1.96 | Crippen Calculated Property | |
| logPoct/wat | 0.766 | Crippen Calculated Property | |
| McVol | 82.100 | ml/mol | McGowan Calculated Property |
| Pc | 4486.22 | kPa | Joback Calculated Property |
| Tboil | 480.05 | K | Joback Calculated Property |
| Tc | 701.58 | K | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propane, 2-nitro-2-nitroso-.
Sources
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