- InChI
- InChI=1S/C19H27NO6/c1-3-5-7-15(4-2)14-25-18(21)8-6-9-19(22)26-17-12-10-16(11-13-17)20(23)24/h10-13,15H,3-9,14H2,1-2H3
- InChI Key
- YDFAFHBKFRSOEI-UHFFFAOYSA-N
- Formula
- C19H27NO6
- SMILES
-
CCCCC(CC)COC(=O)CCCC(=O)Oc1ccc
([N+](=O)[O-])cc1 - Molecular Weight1
- 365.42
- 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 | 1.0413 | Relay (1.0) Calculated Property | |
| ΔfG° | -222.85 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -820.96 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 52.03 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 112.51 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.05 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.23 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.430 | Crippen Calculated Property | |
| McVol | 287.110 | ml/mol | McGowan Calculated Property |
| Pc | 1463.49 | kPa | Joback Calculated Property |
| Inp | 2728.00 | NIST | |
| Tboil | 657.15 | K | Relay (1.0) Calculated Property |
| Tc | 889.64 | K | Relay (1.0) Calculated Property |
| Tfus | 305.73 | K | Relay (1.0) Calculated Property |
| Vc | 1.022 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [929.61; 985.37] | J/mol×K | [969.76; 1194.84] | 
|
| Cp,gas | 929.61 | J/mol×K | 969.76 | Joback Calculated Property |
| Cp,gas | 942.12 | J/mol×K | 1007.27 | Joback Calculated Property |
| Cp,gas | 953.29 | J/mol×K | 1044.79 | Joback Calculated Property |
| Cp,gas | 963.17 | J/mol×K | 1082.30 | Joback Calculated Property |
| Cp,gas | 971.79 | J/mol×K | 1119.81 | Joback Calculated Property |
| Cp,gas | 979.18 | J/mol×K | 1157.33 | Joback Calculated Property |
| Cp,gas | 985.37 | J/mol×K | 1194.84 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 2-ethylhexyl 4-nitrophenyl ester.
Sources
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