- InChI
- InChI=1S/C14H16F4O3/c1-9(5-6-20-2)8-21-13(19)10-3-4-11(12(15)7-10)14(16,17)18/h3-4,7,9H,5-6,8H2,1-2H3
- InChI Key
- XVCPKRAUPVVGTF-UHFFFAOYSA-N
- Formula
- C14H16F4O3
- SMILES
-
COCCC(C)COC(=O)c1ccc(C(F)(F)F)
c(F)c1 - Molecular Weight1
- 308.27
- 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° | -957.61 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1294.19 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 30.64 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.97 | kJ/mol | Joback Calculated Property |
| log10WS | -4.09 | Crippen Calculated Property | |
| logPoct/wat | 3.674 | Crippen Calculated Property | |
| McVol | 204.750 | ml/mol | McGowan Calculated Property |
| Pc | 1758.02 | kPa | Joback Calculated Property |
| Inp | 1608.00 | NIST | |
| Tboil | 648.48 | K | Joback Calculated Property |
| Tc | 831.04 | K | Joback Calculated Property |
| Tfus | 383.17 | K | Joback Calculated Property |
| Vc | 0.808 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [555.96; 628.36] | J/mol×K | [648.48; 831.04] | 
|
| Cp,gas | 555.96 | J/mol×K | 648.48 | Joback Calculated Property |
| Cp,gas | 569.91 | J/mol×K | 678.91 | Joback Calculated Property |
| Cp,gas | 583.07 | J/mol×K | 709.33 | Joback Calculated Property |
| Cp,gas | 595.48 | J/mol×K | 739.76 | Joback Calculated Property |
| Cp,gas | 607.16 | J/mol×K | 770.19 | Joback Calculated Property |
| Cp,gas | 618.11 | J/mol×K | 800.61 | Joback Calculated Property |
| Cp,gas | 628.36 | J/mol×K | 831.04 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Fluoro-4-trifluoromethylbenzoic acid, 4-methoxy-2-methylbutyl ester.
Sources
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