- InChI
- InChI=1S/C16H19F3O4/c1-2-10-22-14(20)8-5-9-15(21)23-11-12-6-3-4-7-13(12)16(17,18)19/h3-4,6-7H,2,5,8-11H2,1H3
- InChI Key
- QOQHPEAZHDRCFM-UHFFFAOYSA-N
- Formula
- C16H19F3O4
- SMILES
-
CCCOC(=O)CCCC(=O)OCc1ccccc1C(F
)(F)F - Molecular Weight1
- 332.31
- 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 | 0.7996 | Relay (1.0) Calculated Property | |
| ΔfG° | -862.81 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1377.84 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 38.25 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.45 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.20 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.74 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.872 | Crippen Calculated Property | |
| McVol | 232.730 | ml/mol | McGowan Calculated Property |
| Pc | 1649.77 | kPa | Joback Calculated Property |
| Inp | 2111.00 | NIST | |
| Tboil | 591.88 | K | Relay (1.0) Calculated Property |
| Tc | 760.96 | K | Relay (1.0) Calculated Property |
| Tfus | 284.67 | K | Relay (1.0) Calculated Property |
| Vc | 0.864 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [673.84; 743.68] | J/mol×K | [744.30; 934.97] | 
|
| Cp,gas | 673.84 | J/mol×K | 744.30 | Joback Calculated Property |
| Cp,gas | 687.63 | J/mol×K | 776.08 | Joback Calculated Property |
| Cp,gas | 700.53 | J/mol×K | 807.86 | Joback Calculated Property |
| Cp,gas | 712.55 | J/mol×K | 839.63 | Joback Calculated Property |
| Cp,gas | 723.74 | J/mol×K | 871.41 | Joback Calculated Property |
| Cp,gas | 734.10 | J/mol×K | 903.19 | Joback Calculated Property |
| Cp,gas | 743.68 | J/mol×K | 934.97 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, propyl 2-(trifluoromethyl)benzyl ester.
Sources
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