- InChI
- InChI=1S/C7H15NO3/c1-4-5-7(6(2)3)11-8(9)10/h6-7H,4-5H2,1-3H3
- InChI Key
- LCSOOXWRLLYSSV-UHFFFAOYSA-N
- Formula
- C7H15NO3
- SMILES
- CCCC(O[N+](=O)[O-])C(C)C
- Molecular Weight1
- 161.20
- 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° | -66.27 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -341.35 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.39 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 49.40 | kJ/mol | Joback Calculated Property |
| log10WS | -2.78 | Crippen Calculated Property | |
| logPoct/wat | 2.019 | Crippen Calculated Property | |
| McVol | 132.780 | ml/mol | McGowan Calculated Property |
| Pc | 2832.35 | kPa | Joback Calculated Property |
| Inp | 996.00 | NIST | |
| Tboil | 532.94 | K | Joback Calculated Property |
| Tc | 738.90 | K | Joback Calculated Property |
| Tfus | 304.49 | K | Joback Calculated Property |
| Vc | 0.515 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [317.68; 387.77] | J/mol×K | [532.94; 738.90] | 
|
| Cp,gas | 317.68 | J/mol×K | 532.94 | Joback Calculated Property |
| Cp,gas | 330.92 | J/mol×K | 567.27 | Joback Calculated Property |
| Cp,gas | 343.52 | J/mol×K | 601.59 | Joback Calculated Property |
| Cp,gas | 355.50 | J/mol×K | 635.92 | Joback Calculated Property |
| Cp,gas | 366.86 | J/mol×K | 670.25 | Joback Calculated Property |
| Cp,gas | 377.61 | J/mol×K | 704.57 | Joback Calculated Property |
| Cp,gas | 387.77 | J/mol×K | 738.90 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Methyl-3-hexyl nitrate.
Sources
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