- InChI
- InChI=1S/C7H15NO3/c1-2-3-4-5-6-7-11-8(9)10/h2-7H2,1H3
- InChI Key
- JYMDZTRYDIQILZ-UHFFFAOYSA-N
- Formula
- C7H15NO3
- SMILES
- CCCCCCCO[N+](=O)[O-]
- Molecular Weight1
- 161.20
- CAS
- 20633-12-9
- Other Names
-
- n-Heptyl nitrate
- Heptyl nitrate
- 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).
- 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 |
|---|---|---|---|
| ω | 0.6257 | Relay (1.0) Calculated Property | |
| ΔfG° | -61.39 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -276.29 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 26.43 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.33 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.62 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.28 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.165 | Crippen Calculated Property | |
| McVol | 132.780 | ml/mol | McGowan Calculated Property |
| Pc | 2784.72 | kPa | Joback Calculated Property |
| Inp | [1106.00; 1106.00] |
|
|
| Inp | 1106.00 | NIST | |
| Inp | 1106.00 | NIST | |
| Inp | 1106.00 | NIST | |
| Tboil | 464.60 | K | Relay (1.0) Calculated Property |
| Tc | 648.45 | K | Relay (1.0) Calculated Property |
| Tfus | 215.85 | K | Relay (1.0) Calculated Property |
| Vc | 0.507 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [317.05; 384.06] | J/mol×K | [533.82; 731.18] |
|
| Cp,gas | 317.05 | J/mol×K | 533.82 | Joback Calculated Property |
| Cp,gas | 329.60 | J/mol×K | 566.71 | Joback Calculated Property |
| Cp,gas | 341.59 | J/mol×K | 599.61 | Joback Calculated Property |
| Cp,gas | 353.03 | J/mol×K | 632.50 | Joback Calculated Property |
| Cp,gas | 363.91 | J/mol×K | 665.40 | Joback Calculated Property |
| Cp,gas | 374.25 | J/mol×K | 698.29 | Joback Calculated Property |
| Cp,gas | 384.06 | J/mol×K | 731.18 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Nitric acid, heptyl ester.
Sources
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