- InChI
- InChI=1S/C14H17F3O3/c1-10(6-7-19-2)9-20-13(18)11-4-3-5-12(8-11)14(15,16)17/h3-5,8,10H,6-7,9H2,1-2H3
- InChI Key
- OSKUTSBEHBXUIH-UHFFFAOYSA-N
- Formula
- C14H17F3O3
- SMILES
-
COCCC(C)COC(=O)c1cccc(C(F)(F)F
)c1 - Molecular Weight1
- 290.28
- 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° | -753.17 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1086.61 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.95 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.13 | kJ/mol | Joback Calculated Property |
| log10WS | -3.76 | Crippen Calculated Property | |
| logPoct/wat | 3.535 | Crippen Calculated Property | |
| McVol | 202.980 | ml/mol | McGowan Calculated Property |
| Pc | 1849.92 | kPa | Joback Calculated Property |
| Inp | 1658.00 | NIST | |
| Tboil | 644.23 | K | Joback Calculated Property |
| Tc | 832.92 | K | Joback Calculated Property |
| Tfus | 370.06 | K | Joback Calculated Property |
| Vc | 0.790 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [548.44; 624.33] | J/mol×K | [644.23; 832.92] | 
|
| Cp,gas | 548.44 | J/mol×K | 644.23 | Joback Calculated Property |
| Cp,gas | 563.14 | J/mol×K | 675.68 | Joback Calculated Property |
| Cp,gas | 576.99 | J/mol×K | 707.13 | Joback Calculated Property |
| Cp,gas | 590.01 | J/mol×K | 738.58 | Joback Calculated Property |
| Cp,gas | 602.22 | J/mol×K | 770.02 | Joback Calculated Property |
| Cp,gas | 613.66 | J/mol×K | 801.47 | Joback Calculated Property |
| Cp,gas | 624.33 | J/mol×K | 832.92 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Trifluoromethylbenzoic acid, 4-methoxy-2-methylbutyl ester.
Sources
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