- InChI
- InChI=1S/C13H14F4O2/c1-3-8(2)7-19-12(18)9-4-5-10(11(14)6-9)13(15,16)17/h4-6,8H,3,7H2,1-2H3
- InChI Key
- CYASEOIWPWYJER-UHFFFAOYSA-N
- Formula
- C13H14F4O2
- SMILES
-
CCC(C)COC(=O)c1ccc(C(F)(F)F)c(
F)c1 - Molecular Weight1
- 278.24
- 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 | 0.6330 | Relay (1.0) Calculated Property | |
| ΔfG° | -861.03 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1249.06 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 26.86 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.76 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.69 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.81 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.047 | Crippen Calculated Property | |
| McVol | 184.790 | ml/mol | McGowan Calculated Property |
| Pc | 1937.24 | kPa | Joback Calculated Property |
| Inp | 1414.00 | NIST | |
| Tboil | 525.09 | K | Relay (1.0) Calculated Property |
| Tc | 694.91 | K | Relay (1.0) Calculated Property |
| Tfus | 269.03 | K | Relay (1.0) Calculated Property |
| Vc | 0.675 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [478.78; 549.87] | J/mol×K | [603.18; 788.04] | 
|
| Cp,gas | 478.78 | J/mol×K | 603.18 | Joback Calculated Property |
| Cp,gas | 492.48 | J/mol×K | 633.99 | Joback Calculated Property |
| Cp,gas | 505.40 | J/mol×K | 664.80 | Joback Calculated Property |
| Cp,gas | 517.57 | J/mol×K | 695.61 | Joback Calculated Property |
| Cp,gas | 529.02 | J/mol×K | 726.42 | Joback Calculated Property |
| Cp,gas | 539.78 | J/mol×K | 757.23 | Joback Calculated Property |
| Cp,gas | 549.87 | J/mol×K | 788.04 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Fluoro-4-trifluoromethylbenzoic acid, 2-methylbutyl ester.
Sources
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