- InChI
- InChI=1S/C16H20F4O2/c1-3-5-6-11(4-2)10-22-15(21)13-8-7-12(17)9-14(13)16(18,19)20/h7-9,11H,3-6,10H2,1-2H3
- InChI Key
- LASSRVJFOANDGZ-UHFFFAOYSA-N
- Formula
- C16H20F4O2
- SMILES
-
CCCCC(CC)COC(=O)c1ccc(F)cc1C(F
)(F)F - Molecular Weight1
- 320.32
- 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 | 0.7305 | Relay (1.0) Calculated Property | |
| ΔfG° | -835.77 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1292.36 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 34.63 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.04 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.30 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.94 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.218 | Crippen Calculated Property | |
| McVol | 227.060 | ml/mol | McGowan Calculated Property |
| Pc | 1525.88 | kPa | Joback Calculated Property |
| Inp | 1635.00 | NIST | |
| Tboil | 563.49 | K | Relay (1.0) Calculated Property |
| Tc | 740.21 | K | Relay (1.0) Calculated Property |
| Tfus | 235.65 | K | Relay (1.0) Calculated Property |
| Vc | 0.825 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [634.14; 712.72] | J/mol×K | [671.82; 852.66] | 
|
| Cp,gas | 634.14 | J/mol×K | 671.82 | Joback Calculated Property |
| Cp,gas | 649.25 | J/mol×K | 701.96 | Joback Calculated Property |
| Cp,gas | 663.52 | J/mol×K | 732.10 | Joback Calculated Property |
| Cp,gas | 676.97 | J/mol×K | 762.24 | Joback Calculated Property |
| Cp,gas | 689.63 | J/mol×K | 792.38 | Joback Calculated Property |
| Cp,gas | 701.54 | J/mol×K | 822.52 | Joback Calculated Property |
| Cp,gas | 712.72 | J/mol×K | 852.66 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Fluoro-2-trifluoromethylbenzoic acid, 2-ethylhexyl ester.
Sources
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