- InChI
- InChI=1S/C15H17F3O4/c1-2-21-13(19)8-5-9-14(20)22-10-11-6-3-4-7-12(11)15(16,17)18/h3-4,6-7H,2,5,8-10H2,1H3
- InChI Key
- YLBKRARANAUXDC-UHFFFAOYSA-N
- Formula
- C15H17F3O4
- SMILES
-
CCOC(=O)CCCC(=O)OCc1ccccc1C(F)
(F)F - Molecular Weight1
- 318.29
- 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 | 0.7529 | Relay (1.0) Calculated Property | |
| ΔfG° | -871.23 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1357.80 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 35.66 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.73 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.19 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.29 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.482 | Crippen Calculated Property | |
| McVol | 218.640 | ml/mol | McGowan Calculated Property |
| Pc | 1786.37 | kPa | Joback Calculated Property |
| Inp | 2002.00 | NIST | |
| Tboil | 578.87 | K | Relay (1.0) Calculated Property |
| Tc | 755.62 | K | Relay (1.0) Calculated Property |
| Tfus | 287.85 | K | Relay (1.0) Calculated Property |
| Vc | 0.810 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [619.55; 687.57] | J/mol×K | [721.42; 912.88] | 
|
| Cp,gas | 619.55 | J/mol×K | 721.42 | Joback Calculated Property |
| Cp,gas | 632.98 | J/mol×K | 753.33 | Joback Calculated Property |
| Cp,gas | 645.53 | J/mol×K | 785.24 | Joback Calculated Property |
| Cp,gas | 657.25 | J/mol×K | 817.15 | Joback Calculated Property |
| Cp,gas | 668.14 | J/mol×K | 849.06 | Joback Calculated Property |
| Cp,gas | 678.24 | J/mol×K | 880.97 | Joback Calculated Property |
| Cp,gas | 687.57 | J/mol×K | 912.88 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, ethyl 2-(trifluoromethyl)benzyl ester.
Sources
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