- InChI
- InChI=1S/C17H21F3O4/c1-12(2)11-23-14(21)9-6-10-15(22)24-16(17(18,19)20)13-7-4-3-5-8-13/h3-5,7-8,12,16H,6,9-11H2,1-2H3
- InChI Key
- QHMPUGJSGBEDQH-UHFFFAOYSA-N
- Formula
- C17H21F3O4
- SMILES
-
CC(C)COC(=O)CCCC(=O)OC(c1ccccc
1)C(F)(F)F - Molecular Weight1
- 346.34
- 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° | -849.64 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1254.92 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 34.18 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.50 | kJ/mol | Joback Calculated Property |
| log10WS | -4.65 | Crippen Calculated Property | |
| logPoct/wat | 4.203 | Crippen Calculated Property | |
| McVol | 246.820 | ml/mol | McGowan Calculated Property |
| Pc | 1565.99 | kPa | Joback Calculated Property |
| Inp | 1929.00 | NIST | |
| Tboil | 761.32 | K | Joback Calculated Property |
| Tc | 955.32 | K | Joback Calculated Property |
| Tfus | 426.28 | K | Joback Calculated Property |
| Vc | 0.959 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [731.09; 804.27] | J/mol×K | [761.32; 955.32] | 
|
| Cp,gas | 731.09 | J/mol×K | 761.32 | Joback Calculated Property |
| Cp,gas | 745.67 | J/mol×K | 793.65 | Joback Calculated Property |
| Cp,gas | 759.26 | J/mol×K | 825.99 | Joback Calculated Property |
| Cp,gas | 771.87 | J/mol×K | 858.32 | Joback Calculated Property |
| Cp,gas | 783.56 | J/mol×K | 890.65 | Joback Calculated Property |
| Cp,gas | 794.34 | J/mol×K | 922.99 | Joback Calculated Property |
| Cp,gas | 804.27 | J/mol×K | 955.32 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, isobutyl 1-phenyl-2,2,2-trifluoroethyl ester.
Sources
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