- InChI
- InChI=1S/C20H19F3O4/c1-2-3-12-26-18(24)15-9-5-6-10-16(15)19(25)27-13-14-8-4-7-11-17(14)20(21,22)23/h4-11H,2-3,12-13H2,1H3
- InChI Key
- RLNMEGLWDAXFFJ-UHFFFAOYSA-N
- Formula
- C20H19F3O4
- SMILES
-
CCCCOC(=O)c1ccccc1C(=O)OCc1ccc
cc1C(F)(F)F - Molecular Weight1
- 380.36
- Other Names
-
- Phthalic acid, butyl 2-trifluorobenzyl ester
- 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 | 0.8784 | Relay (1.0) Calculated Property | |
| ΔfG° | -726.35 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1207.44 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 42.26 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 95.75 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.17 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.56 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.019 | Crippen Calculated Property | |
| McVol | 265.330 | ml/mol | McGowan Calculated Property |
| Pc | 1562.28 | kPa | Joback Calculated Property |
| Inp | 2309.00 | NIST | |
| Tboil | 650.56 | K | Relay (1.0) Calculated Property |
| Tc | 869.82 | K | Relay (1.0) Calculated Property |
| Tfus | 288.02 | K | Relay (1.0) Calculated Property |
| Vc | 0.972 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [803.43; 864.78] | J/mol×K | [867.48; 1081.23] | 
|
| Cp,gas | 803.43 | J/mol×K | 867.48 | Joback Calculated Property |
| Cp,gas | 816.29 | J/mol×K | 903.10 | Joback Calculated Property |
| Cp,gas | 828.02 | J/mol×K | 938.73 | Joback Calculated Property |
| Cp,gas | 838.69 | J/mol×K | 974.35 | Joback Calculated Property |
| Cp,gas | 848.34 | J/mol×K | 1009.98 | Joback Calculated Property |
| Cp,gas | 857.02 | J/mol×K | 1045.60 | Joback Calculated Property |
| Cp,gas | 864.78 | J/mol×K | 1081.23 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phthalic acid, butyl 2-trifluoromethylbenzyl ester.
Sources
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