- InChI
- InChI=1S/C3H7NO3/c1-3(2-5)4(6)7/h3,5H,2H2,1H3
- InChI Key
- PCNWBUOSTLGPMI-UHFFFAOYSA-N
- Formula
- C3H7NO3
- SMILES
- CC(CO)[N+](=O)[O-]
- Molecular Weight1
- 105.09
- CAS
- 2902-96-7
- Other Names
-
- 2-Nitropropanol-1
- 1-Propanol, 2-nitro-
- Ba 51-084789
- 2-Nitropropanol
- 2-nitropropan-1-ol
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- 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 |
|---|---|---|---|
| ΔfG° | -129.33 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -273.52 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 15.45 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.15 | kJ/mol | Joback Calculated Property |
| log10WS | -0.54 | Crippen Calculated Property | |
| logPoct/wat | -0.356 | Crippen Calculated Property | |
| McVol | 76.420 | ml/mol | McGowan Calculated Property |
| Pc | 5146.06 | kPa | Joback Calculated Property |
| Tboil | 511.62 | K | Joback Calculated Property |
| Tc | 713.17 | K | Joback Calculated Property |
| Tfus | 313.00 | K | Joback Calculated Property |
| Vc | 0.298 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [169.65; 206.13] | J/mol×K | [511.62; 713.17] | 
|
| Cp,gas | 169.65 | J/mol×K | 511.62 | Joback Calculated Property |
| Cp,gas | 176.61 | J/mol×K | 545.21 | Joback Calculated Property |
| Cp,gas | 183.21 | J/mol×K | 578.80 | Joback Calculated Property |
| Cp,gas | 189.44 | J/mol×K | 612.39 | Joback Calculated Property |
| Cp,gas | 195.33 | J/mol×K | 645.98 | Joback Calculated Property |
| Cp,gas | 200.89 | J/mol×K | 679.58 | Joback Calculated Property |
| Cp,gas | 206.13 | J/mol×K | 713.17 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Nitro-1-propanol.
Sources
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