- InChI
- InChI=1S/C18H23F3O4/c1-2-3-7-13-24-15(22)11-8-12-16(23)25-17(18(19,20)21)14-9-5-4-6-10-14/h4-6,9-10,17H,2-3,7-8,11-13H2,1H3
- InChI Key
- METURVVGIMGXJR-UHFFFAOYSA-N
- Formula
- C18H23F3O4
- SMILES
-
CCCCCOC(=O)CCCC(=O)OC(c1ccccc1
)C(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° | -838.78 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1270.28 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 40.29 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.11 | kJ/mol | Joback Calculated Property |
| log10WS | -5.31 | Crippen Calculated Property | |
| logPoct/wat | 4.737 | Crippen Calculated Property | |
| McVol | 260.910 | ml/mol | McGowan Calculated Property |
| Pc | 1444.64 | kPa | Joback Calculated Property |
| Inp | 2076.00 | NIST | |
| Tboil | 784.64 | K | Joback Calculated Property |
| Tc | 976.37 | K | Joback Calculated Property |
| Tfus | 452.55 | K | Joback Calculated Property |
| Vc | 1.020 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [786.85; 860.77] | J/mol×K | [784.64; 976.37] | 
|
| Cp,gas | 786.85 | J/mol×K | 784.64 | Joback Calculated Property |
| Cp,gas | 801.54 | J/mol×K | 816.60 | Joback Calculated Property |
| Cp,gas | 815.23 | J/mol×K | 848.55 | Joback Calculated Property |
| Cp,gas | 827.96 | J/mol×K | 880.51 | Joback Calculated Property |
| Cp,gas | 839.77 | J/mol×K | 912.46 | Joback Calculated Property |
| Cp,gas | 850.70 | J/mol×K | 944.42 | Joback Calculated Property |
| Cp,gas | 860.77 | J/mol×K | 976.37 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, pentyl 1-phenyl-2,2,2-trifluoroethyl ester.
Sources
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