- InChI
- InChI=1S/C4H9NO3/c1-4(2,3-6)5(7)8/h6H,3H2,1-2H3
- InChI Key
- MVGJRISPEUZYAQ-UHFFFAOYSA-N
- Formula
- C4H9NO3
- SMILES
- CC(C)(CO)[N+](=O)[O-]
- Molecular Weight1
- 119.12
- CAS
- 76-39-1
- Other Names
-
- 2-Nitro-2-methylpropanol
- 2-Methyl-2-nitro-1-propanol
- 2-Nitro-2-methyl-1-propanol
- 2-Methyl-2-nitropropanol
- NMP
- 2-methyl-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).
- I : Polar retention indices.
- 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° | -115.63 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -297.63 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 14.15 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.47 | kJ/mol | Joback Calculated Property |
| log10WS | -0.96 | Crippen Calculated Property | |
| logPoct/wat | 0.034 | Crippen Calculated Property | |
| McVol | 90.510 | ml/mol | McGowan Calculated Property |
| Pc | 4571.55 | kPa | Joback Calculated Property |
| I | 1898.00 | NIST | |
| Tboil | 531.71 | K | Joback Calculated Property |
| Tc | 738.33 | K | Joback Calculated Property |
| Tfus | 341.69 | K | Joback Calculated Property |
| Vc | 0.349 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [214.06; 257.20] | J/mol×K | [531.71; 738.33] | 
|
| Cp,gas | 214.06 | J/mol×K | 531.71 | Joback Calculated Property |
| Cp,gas | 222.56 | J/mol×K | 566.15 | Joback Calculated Property |
| Cp,gas | 230.49 | J/mol×K | 600.58 | Joback Calculated Property |
| Cp,gas | 237.89 | J/mol×K | 635.02 | Joback Calculated Property |
| Cp,gas | 244.78 | J/mol×K | 669.46 | Joback Calculated Property |
| Cp,gas | 251.21 | J/mol×K | 703.90 | Joback Calculated Property |
| Cp,gas | 257.20 | J/mol×K | 738.33 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Propanol, 2-methyl-2-nitro-.
Sources
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