- InChI
- InChI=1S/C14H17F3O2/c1-3-5-10(2)9-19-13(18)11-6-4-7-12(8-11)14(15,16)17/h4,6-8,10H,3,5,9H2,1-2H3
- InChI Key
- ABFGORYPNMAMKP-UHFFFAOYSA-N
- Formula
- C14H17F3O2
- SMILES
-
CCCC(C)COC(=O)c1cccc(C(F)(F)F)
c1 - Molecular Weight1
- 274.28
- 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° | -648.17 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -954.39 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 26.76 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.72 | kJ/mol | Joback Calculated Property |
| log10WS | -4.67 | Crippen Calculated Property | |
| logPoct/wat | 4.298 | Crippen Calculated Property | |
| McVol | 197.110 | ml/mol | McGowan Calculated Property |
| Pc | 1877.28 | kPa | Joback Calculated Property |
| Inp | [1506.00; 1506.00] |
|
|
| Inp | 1506.00 | NIST | |
| Inp | 1506.00 | NIST | |
| Tboil | 621.81 | K | Joback Calculated Property |
| Tc | 811.57 | K | Joback Calculated Property |
| Tfus | 347.83 | K | Joback Calculated Property |
| Vc | 0.772 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [521.48; 599.14] | J/mol×K | [621.81; 811.57] |
|
| Cp,gas | 521.48 | J/mol×K | 621.81 | Joback Calculated Property |
| Cp,gas | 536.52 | J/mol×K | 653.44 | Joback Calculated Property |
| Cp,gas | 550.68 | J/mol×K | 685.06 | Joback Calculated Property |
| Cp,gas | 563.99 | J/mol×K | 716.69 | Joback Calculated Property |
| Cp,gas | 576.48 | J/mol×K | 748.32 | Joback Calculated Property |
| Cp,gas | 588.18 | J/mol×K | 779.94 | Joback Calculated Property |
| Cp,gas | 599.14 | J/mol×K | 811.57 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Trifluoromethylbenzoic acid, 2-methylpentyl ester.
Sources
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