- InChI
- InChI=1S/C7H15NO3/c1-3-4-5-6-7(2)11-8(9)10/h7H,3-6H2,1-2H3
- InChI Key
- HHXLSUKHLTZWKR-UHFFFAOYSA-N
- Formula
- C7H15NO3
- SMILES
- CCCCCC(C)O[N+](=O)[O-]
- 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° | -63.83 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -336.07 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 22.91 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 49.79 | kJ/mol | Joback Calculated Property |
| log10WS | -3.03 | Crippen Calculated Property | |
| logPoct/wat | 2.163 | Crippen Calculated Property | |
| McVol | 132.780 | ml/mol | McGowan Calculated Property |
| Pc | 2808.38 | kPa | Joback Calculated Property |
| Inp | 1049.00 | NIST | |
| Tboil | 533.38 | K | Joback Calculated Property |
| Tc | 734.96 | K | Joback Calculated Property |
| Tfus | 319.49 | K | Joback Calculated Property |
| Vc | 0.521 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [317.37; 385.89] | J/mol×K | [533.38; 734.96] | 
|
| Cp,gas | 317.37 | J/mol×K | 533.38 | Joback Calculated Property |
| Cp,gas | 330.26 | J/mol×K | 566.98 | Joback Calculated Property |
| Cp,gas | 342.55 | J/mol×K | 600.57 | Joback Calculated Property |
| Cp,gas | 354.25 | J/mol×K | 634.17 | Joback Calculated Property |
| Cp,gas | 365.37 | J/mol×K | 667.77 | Joback Calculated Property |
| Cp,gas | 375.91 | J/mol×K | 701.37 | Joback Calculated Property |
| Cp,gas | 385.89 | J/mol×K | 734.96 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Heptyl nitrate.
Sources
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