- InChI
- InChI=1S/C5H11NO3/c1-4(2)5(3)9-6(7)8/h4-5H,1-3H3
- InChI Key
- OTVLXFGCWJFXJU-UHFFFAOYSA-N
- Formula
- C5H11NO3
- SMILES
- CC(C)C(C)O[N+](=O)[O-]
- Molecular Weight1
- 133.15
- 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).
- Inp : Non-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° | -83.11 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -300.07 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 14.21 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 44.95 | kJ/mol | Joback Calculated Property |
| log10WS | -1.95 | Crippen Calculated Property | |
| logPoct/wat | 1.239 | Crippen Calculated Property | |
| McVol | 104.600 | ml/mol | McGowan Calculated Property |
| Pc | 3513.74 | kPa | Joback Calculated Property |
| Inp | [819.00; 819.00] |
|
|
| Inp | 819.00 | NIST | |
| Inp | 819.00 | NIST | |
| Tboil | 487.18 | K | Joback Calculated Property |
| Tc | 699.50 | K | Joback Calculated Property |
| Tfus | 281.95 | K | Joback Calculated Property |
| Vc | 0.404 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [231.36; 290.07] | J/mol×K | [487.18; 699.50] |
|
| Cp,gas | 231.36 | J/mol×K | 487.18 | Joback Calculated Property |
| Cp,gas | 242.40 | J/mol×K | 522.57 | Joback Calculated Property |
| Cp,gas | 252.94 | J/mol×K | 557.95 | Joback Calculated Property |
| Cp,gas | 262.97 | J/mol×K | 593.34 | Joback Calculated Property |
| Cp,gas | 272.50 | J/mol×K | 628.73 | Joback Calculated Property |
| Cp,gas | 281.53 | J/mol×K | 664.12 | Joback Calculated Property |
| Cp,gas | 290.07 | J/mol×K | 699.50 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Methyl-3-butyl nitrate.
Sources
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