- InChI
- InChI=1S/C6H13NO3/c1-2-3-4-5-6-10-7(8)9/h2-6H2,1H3
- InChI Key
- AGDYNDJUZRMYRG-UHFFFAOYSA-N
- Formula
- C6H13NO3
- SMILES
- CCCCCCO[N+](=O)[O-]
- Molecular Weight1
- 147.17
- CAS
- 20633-11-8
- Other Names
-
- n-Hexyl nitrate
- Hexyl 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 | 0.5811 | Relay (... Calculated Property | |
| ΔfG° | -69.81 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -250.59 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 23.85 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.41 | kJ/mol | Relay (... Calculated Property |
| IE | 10.82 | eV | Relay (... Calculated Property |
| log10WS | -2.73 | Relay (... Calculated Property | |
| logPoct/wat | 1.775 | Crippen Calculated Property | |
| McVol | 118.690 | ml/mol | McGowan Calculated Property |
| Pc | 3089.85 | kPa | Joback Calculated Property |
| Inp | [1004.00; 1043.00] |
|
|
| Inp | 1043.00 | NIST | |
| Inp | 1004.00 | NIST | |
| Inp | 1004.00 | NIST | |
| Tboil | 445.84 | K | Relay (... Calculated Property |
| Tc | 630.69 | K | Relay (... Calculated Property |
| Tfus | 207.07 | K | Relay (... Calculated Property |
| Vc | 0.449 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [272.96; 334.70] | J/mol×K | [510.94; 711.03] |
|
| Cp,gas | 272.96 | J/mol×K | 510.94 | Joback Calculated Property |
| Cp,gas | 284.51 | J/mol×K | 544.29 | Joback Calculated Property |
| Cp,gas | 295.54 | J/mol×K | 577.64 | Joback Calculated Property |
| Cp,gas | 306.07 | J/mol×K | 610.99 | Joback Calculated Property |
| Cp,gas | 316.10 | J/mol×K | 644.34 | Joback Calculated Property |
| Cp,gas | 325.64 | J/mol×K | 677.69 | Joback Calculated Property |
| Cp,gas | 334.70 | J/mol×K | 711.03 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Nitric acid, hexyl ester.
Sources
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