- InChI
- InChI=1S/C23H33F3O4/c1-2-3-4-5-6-7-8-9-17-29-21(27)11-10-12-22(28)30-18-19-13-15-20(16-14-19)23(24,25)26/h13-16H,2-12,17-18H2,1H3
- InChI Key
- PXAWAMVOMWYIFP-UHFFFAOYSA-N
- Formula
- C23H33F3O4
- SMILES
-
CCCCCCCCCCOC(=O)CCCC(=O)OCc1cc
c(C(F)(F)F)cc1 - Molecular Weight1
- 430.50
- 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° | -803.87 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1379.67 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 56.38 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.30 | kJ/mol | Joback Calculated Property |
| log10WS | -7.46 | Crippen Calculated Property | |
| logPoct/wat | 6.603 | Crippen Calculated Property | |
| McVol | 331.360 | ml/mol | McGowan Calculated Property |
| Pc | 1018.13 | kPa | Joback Calculated Property |
| Inp | [2853.00; 2853.00] |
|
|
| Inp | 2853.00 | NIST | |
| Inp | 2853.00 | NIST | |
| Tboil | 904.46 | K | Joback Calculated Property |
| Tc | 1107.50 | K | Joback Calculated Property |
| Tfus | 536.42 | K | Joback Calculated Property |
| Vc | 1.306 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1079.73; 1159.29] | J/mol×K | [904.46; 1107.50] |
|
| Cp,gas | 1079.73 | J/mol×K | 904.46 | Joback Calculated Property |
| Cp,gas | 1095.80 | J/mol×K | 938.30 | Joback Calculated Property |
| Cp,gas | 1110.68 | J/mol×K | 972.14 | Joback Calculated Property |
| Cp,gas | 1124.42 | J/mol×K | 1005.98 | Joback Calculated Property |
| Cp,gas | 1137.06 | J/mol×K | 1039.82 | Joback Calculated Property |
| Cp,gas | 1148.67 | J/mol×K | 1073.66 | Joback Calculated Property |
| Cp,gas | 1159.29 | J/mol×K | 1107.50 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, decyl 4-(trifluoromethyl)benzyl ester.
Sources
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