- InChI
- InChI=1S/C19H27NO7/c1-2-3-4-5-13-26-18(21)7-6-8-19(22)27-15-14-25-17-11-9-16(10-12-17)20(23)24/h9-12H,2-8,13-15H2,1H3
- InChI Key
- KWUFBWUAWOFLGX-UHFFFAOYSA-N
- Formula
- C19H27NO7
- SMILES
-
CCCCCCOC(=O)CCCC(=O)OCCOc1ccc(
[N+](=O)[O-])cc1 - Molecular Weight1
- 381.42
- 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 | 1.1398 | Relay (1.0) Calculated Property | |
| ΔfG° | -325.41 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -936.35 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 56.74 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 118.78 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.02 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.77 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.811 | Crippen Calculated Property | |
| McVol | 292.980 | ml/mol | McGowan Calculated Property |
| Pc | 1435.89 | kPa | Joback Calculated Property |
| Inp | 3005.00 | NIST | |
| Tboil | 674.03 | K | Relay (1.0) Calculated Property |
| Tc | 890.25 | K | Relay (1.0) Calculated Property |
| Tfus | 329.04 | K | Relay (1.0) Calculated Property |
| Vc | 1.079 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [955.38; 1002.97] | J/mol×K | [992.62; 1218.67] | 
|
| Cp,gas | 955.38 | J/mol×K | 992.62 | Joback Calculated Property |
| Cp,gas | 966.94 | J/mol×K | 1030.29 | Joback Calculated Property |
| Cp,gas | 977.02 | J/mol×K | 1067.97 | Joback Calculated Property |
| Cp,gas | 985.65 | J/mol×K | 1105.64 | Joback Calculated Property |
| Cp,gas | 992.84 | J/mol×K | 1143.32 | Joback Calculated Property |
| Cp,gas | 998.61 | J/mol×K | 1180.99 | Joback Calculated Property |
| Cp,gas | 1002.97 | J/mol×K | 1218.67 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, hexyl 2-(4-nitrophenoxy)ethyl ester.
Sources
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