- InChI
- InChI=1S/C18H23F3O4/c1-2-3-6-12-24-16(22)10-7-11-17(23)25-13-14-8-4-5-9-15(14)18(19,20)21/h4-5,8-9H,2-3,6-7,10-13H2,1H3
- InChI Key
- YSXCPCJXJKKYLD-UHFFFAOYSA-N
- Formula
- C18H23F3O4
- SMILES
-
CCCCCOC(=O)CCCC(=O)OCc1ccccc1C
(F)(F)F - Molecular Weight1
- 360.37
- 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° | -845.97 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1276.47 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 43.43 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.17 | kJ/mol | Joback Calculated Property |
| log10WS | -5.37 | Crippen Calculated Property | |
| logPoct/wat | 4.652 | Crippen Calculated Property | |
| McVol | 260.910 | ml/mol | McGowan Calculated Property |
| Pc | 1419.71 | kPa | Joback Calculated Property |
| Inp | 2320.00 | NIST | |
| Tboil | 790.06 | K | Joback Calculated Property |
| Tc | 980.80 | K | Joback Calculated Property |
| Tfus | 480.07 | K | Joback Calculated Property |
| Vc | 1.026 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [785.53; 858.49] | J/mol×K | [790.06; 980.80] | 
|
| Cp,gas | 785.53 | J/mol×K | 790.06 | Joback Calculated Property |
| Cp,gas | 799.99 | J/mol×K | 821.85 | Joback Calculated Property |
| Cp,gas | 813.48 | J/mol×K | 853.64 | Joback Calculated Property |
| Cp,gas | 826.05 | J/mol×K | 885.43 | Joback Calculated Property |
| Cp,gas | 837.71 | J/mol×K | 917.22 | Joback Calculated Property |
| Cp,gas | 848.52 | J/mol×K | 949.01 | Joback Calculated Property |
| Cp,gas | 858.49 | J/mol×K | 980.80 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, pentyl 2-(trifluoromethyl)benzyl ester.
Sources
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