- InChI
- InChI=1S/C5H11NO3/c1-3-5(2,4-7)6(8)9/h7H,3-4H2,1-2H3
- InChI Key
- SEAMRWZKMYUKOI-UHFFFAOYSA-N
- Formula
- C5H11NO3
- SMILES
- CCC(C)(CO)[N+](=O)[O-]
- Molecular Weight1
- 133.15
- ω : Acentric Factor.
- 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).
- 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).
- 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 |
|---|---|---|---|
| ω | 0.6026 | Relay (1.0) Calculated Property | |
| ΔfG° | -107.21 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -318.09 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.74 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.65 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.24 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.48 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.424 | Crippen Calculated Property | |
| McVol | 104.600 | ml/mol | McGowan Calculated Property |
| Pc | 4031.24 | kPa | Joback Calculated Property |
| I | 2000.00 | NIST | |
| Tboil | 489.90 | K | Relay (1.0) Calculated Property |
| Tc | 696.64 | K | Relay (1.0) Calculated Property |
| Tfus | 338.27 | K | Relay (1.0) Calculated Property |
| Vc | 0.358 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [256.85; 305.49] | J/mol×K | [554.59; 758.11] | 
|
| Cp,gas | 256.85 | J/mol×K | 554.59 | Joback Calculated Property |
| Cp,gas | 266.36 | J/mol×K | 588.51 | Joback Calculated Property |
| Cp,gas | 275.26 | J/mol×K | 622.43 | Joback Calculated Property |
| Cp,gas | 283.59 | J/mol×K | 656.35 | Joback Calculated Property |
| Cp,gas | 291.38 | J/mol×K | 690.27 | Joback Calculated Property |
| Cp,gas | 298.67 | J/mol×K | 724.19 | Joback Calculated Property |
| Cp,gas | 305.49 | J/mol×K | 758.11 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Nitro-2-methyl-1-butanol.
Sources
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