- InChI
- InChI=1S/C5H11NO3/c1-3-5(4-2)9-6(7)8/h5H,3-4H2,1-2H3
- InChI Key
- WQZKKVJFBZPJSU-UHFFFAOYSA-N
- Formula
- C5H11NO3
- SMILES
- CCC(CC)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° | -80.67 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -294.79 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 17.73 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 45.34 | kJ/mol | Joback Calculated Property |
| log10WS | -2.19 | Crippen Calculated Property | |
| logPoct/wat | 1.383 | Crippen Calculated Property | |
| McVol | 104.600 | ml/mol | McGowan Calculated Property |
| Pc | 3480.65 | kPa | Joback Calculated Property |
| Inp | [844.00; 844.00] |
|
|
| Inp | 844.00 | NIST | |
| Inp | 844.00 | NIST | |
| Tboil | 487.62 | K | Joback Calculated Property |
| Tc | 695.13 | K | Joback Calculated Property |
| Tfus | 296.95 | K | Joback Calculated Property |
| Vc | 0.409 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [231.11; 288.32] | J/mol×K | [487.62; 695.13] |
|
| Cp,gas | 231.11 | J/mol×K | 487.62 | Joback Calculated Property |
| Cp,gas | 241.83 | J/mol×K | 522.21 | Joback Calculated Property |
| Cp,gas | 252.06 | J/mol×K | 556.79 | Joback Calculated Property |
| Cp,gas | 261.83 | J/mol×K | 591.38 | Joback Calculated Property |
| Cp,gas | 271.12 | J/mol×K | 625.96 | Joback Calculated Property |
| Cp,gas | 279.95 | J/mol×K | 660.55 | Joback Calculated Property |
| Cp,gas | 288.32 | J/mol×K | 695.13 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Pentyl nitrate.
Sources
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