- InChI
- InChI=1S/C22H23F3O5/c1-2-3-4-7-14-28-20(26)18-8-5-6-9-19(18)21(27)29-15-16-10-12-17(13-11-16)30-22(23,24)25/h5-6,8-13H,2-4,7,14-15H2,1H3
- InChI Key
- LFGXZZCPHSUAFP-UHFFFAOYSA-N
- Formula
- C22H23F3O5
- SMILES
-
CCCCCCOC(=O)c1ccccc1C(=O)OCc1c
cc(OC(F)(F)F)cc1 - Molecular Weight1
- 424.41
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 1.0254 | Relay (1.0) Calculated Property | |
| ΔfG° | -814.51 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1422.79 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 48.63 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 101.36 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.00 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.54 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.679 | Crippen Calculated Property | |
| McVol | 299.380 | ml/mol | McGowan Calculated Property |
| Pc | 1332.96 | kPa | Joback Calculated Property |
| Inp | 2470.00 | NIST | |
| Tboil | 671.55 | K | Relay (1.0) Calculated Property |
| Tc | 865.45 | K | Relay (1.0) Calculated Property |
| Tfus | 259.73 | K | Relay (1.0) Calculated Property |
| Vc | 1.103 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [945.91; 1002.90] | J/mol×K | [935.66; 1151.61] | 
|
| Cp,gas | 945.91 | J/mol×K | 935.66 | Joback Calculated Property |
| Cp,gas | 958.44 | J/mol×K | 971.65 | Joback Calculated Property |
| Cp,gas | 969.70 | J/mol×K | 1007.64 | Joback Calculated Property |
| Cp,gas | 979.73 | J/mol×K | 1043.64 | Joback Calculated Property |
| Cp,gas | 988.58 | J/mol×K | 1079.63 | Joback Calculated Property |
| Cp,gas | 996.29 | J/mol×K | 1115.62 | Joback Calculated Property |
| Cp,gas | 1002.90 | J/mol×K | 1151.61 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phthalic acid, hexyl 4-trifluoromethoxybenzyl ester.
Sources
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