- InChI
- InChI=1S/C19H25F3O4/c1-2-3-4-7-13-25-17(23)11-8-12-18(24)26-14-15-9-5-6-10-16(15)19(20,21)22/h5-6,9-10H,2-4,7-8,11-14H2,1H3
- InChI Key
- ONHKNNMANFMARF-UHFFFAOYSA-N
- Formula
- C19H25F3O4
- SMILES
-
CCCCCCOC(=O)CCCC(=O)OCc1ccccc1
C(F)(F)F - Molecular Weight1
- 374.39
- 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 | 0.9213 | Relay (1.0) Calculated Property | |
| ΔfG° | -837.55 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1436.46 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 46.02 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.81 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.09 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.92 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.042 | Crippen Calculated Property | |
| McVol | 275.000 | ml/mol | McGowan Calculated Property |
| Pc | 1322.31 | kPa | Joback Calculated Property |
| Inp | 2426.00 | NIST | |
| Tboil | 624.02 | K | Relay (1.0) Calculated Property |
| Tc | 793.62 | K | Relay (1.0) Calculated Property |
| Tfus | 286.17 | K | Relay (1.0) Calculated Property |
| Vc | 1.023 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [842.80; 917.13] | J/mol×K | [812.94; 1004.64] | 
|
| Cp,gas | 842.80 | J/mol×K | 812.94 | Joback Calculated Property |
| Cp,gas | 857.56 | J/mol×K | 844.89 | Joback Calculated Property |
| Cp,gas | 871.33 | J/mol×K | 876.84 | Joback Calculated Property |
| Cp,gas | 884.14 | J/mol×K | 908.79 | Joback Calculated Property |
| Cp,gas | 896.01 | J/mol×K | 940.74 | Joback Calculated Property |
| Cp,gas | 907.00 | J/mol×K | 972.69 | Joback Calculated Property |
| Cp,gas | 917.13 | J/mol×K | 1004.64 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, hexyl 2-(trifluoromethyl)benzyl ester.
Sources
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