- InChI
- InChI=1S/C17H21F3O4/c1-12(2)10-23-15(21)4-3-5-16(22)24-11-13-6-8-14(9-7-13)17(18,19)20/h6-9,12H,3-5,10-11H2,1-2H3
- InChI Key
- WISDHGZRSQMLAJ-UHFFFAOYSA-N
- Formula
- C17H21F3O4
- SMILES
-
CC(C)COC(=O)CCCC(=O)OCc1ccc(C(
F)(F)F)cc1 - 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° | -856.83 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1261.11 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 37.31 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.55 | kJ/mol | Joback Calculated Property |
| log10WS | -4.71 | Crippen Calculated Property | |
| logPoct/wat | 4.118 | Crippen Calculated Property | |
| McVol | 246.820 | ml/mol | McGowan Calculated Property |
| Pc | 1537.87 | kPa | Joback Calculated Property |
| Inp | 2165.00 | NIST | |
| Tboil | 766.74 | K | Joback Calculated Property |
| Tc | 959.29 | K | Joback Calculated Property |
| Tfus | 453.80 | K | Joback Calculated Property |
| Vc | 0.965 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [729.74; 801.78] | J/mol×K | [766.74; 959.29] | 
|
| Cp,gas | 729.74 | J/mol×K | 766.74 | Joback Calculated Property |
| Cp,gas | 744.04 | J/mol×K | 798.83 | Joback Calculated Property |
| Cp,gas | 757.38 | J/mol×K | 830.92 | Joback Calculated Property |
| Cp,gas | 769.80 | J/mol×K | 863.02 | Joback Calculated Property |
| Cp,gas | 781.31 | J/mol×K | 895.11 | Joback Calculated Property |
| Cp,gas | 791.96 | J/mol×K | 927.20 | Joback Calculated Property |
| Cp,gas | 801.78 | J/mol×K | 959.29 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, isobutyl 4-(trifluoromethyl)benzyl ester.
Sources
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