- 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
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- 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).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.4431 | Relay (... Calculated Property | |
| ΔfG° | 119.25 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -57.91 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 40.71 | kJ/mol | Relay (... Calculated Property |
| IE | 9.90 ± 0.10 | eV | NIST |
| log10WS | -1.52 | Relay (... 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 | 387.03 | K | Relay (... Calculated Property |
| Tc | 631.87 | K | Relay (... Calculated Property |
| Tfus | 319.09 | K | Relay (... Calculated Property |
| Vc | 0.316 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Propane, 2-nitro-2-nitroso-.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) ⚠️ Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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