- InChI
- InChI=1S/C15H16F4O4/c1-2-22-13(20)7-4-8-14(21)23-9-10-11(15(17,18)19)5-3-6-12(10)16/h3,5-6H,2,4,7-9H2,1H3
- InChI Key
- FXGYQLVZJMCYSH-UHFFFAOYSA-N
- Formula
- C15H16F4O4
- SMILES
-
CCOC(=O)CCCC(=O)OCc1c(F)cccc1C
(F)(F)F - Molecular Weight1
- 336.28
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -1075.67 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1422.13 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 38.35 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.33 | kJ/mol | Joback Calculated Property |
| log10WS | -4.44 | Crippen Calculated Property | |
| logPoct/wat | 3.621 | Crippen Calculated Property | |
| McVol | 220.410 | ml/mol | McGowan Calculated Property |
| Pc | 1699.10 | kPa | Joback Calculated Property |
| Inp | 1995.00 | NIST | |
| Tboil | 725.67 | K | Joback Calculated Property |
| Tc | 912.13 | K | Joback Calculated Property |
| Tfus | 459.37 | K | Joback Calculated Property |
| Vc | 0.876 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [626.46; 691.73] | J/mol×K | [725.67; 912.13] | 
|
| Cp,gas | 626.46 | J/mol×K | 725.67 | Joback Calculated Property |
| Cp,gas | 639.29 | J/mol×K | 756.75 | Joback Calculated Property |
| Cp,gas | 651.32 | J/mol×K | 787.82 | Joback Calculated Property |
| Cp,gas | 662.55 | J/mol×K | 818.90 | Joback Calculated Property |
| Cp,gas | 673.02 | J/mol×K | 849.98 | Joback Calculated Property |
| Cp,gas | 682.74 | J/mol×K | 881.05 | Joback Calculated Property |
| Cp,gas | 691.73 | J/mol×K | 912.13 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, ethyl 2-fluoro-6-(trifluoromethyl)benzyl ester.
Sources
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