- InChI
- InChI=1S/C16H19F3O2/c1-3-4-5-6-7-12(2)21-15(20)13-8-10-14(11-9-13)16(17,18)19/h6-12H,3-5H2,1-2H3/b7-6+
- InChI Key
- LAJBFUMGBXUHPT-VOTSOKGWSA-N
- Formula
- C16H19F3O2
- SMILES
-
CCCCC=CC(C)OC(=O)c1ccc(C(F)(F)
F)cc1 - Molecular Weight1
- 300.32
- 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° | -551.11 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -878.45 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 32.14 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.13 | kJ/mol | Joback Calculated Property |
| log10WS | -5.71 | Crippen Calculated Property | |
| logPoct/wat | 4.997 | Crippen Calculated Property | |
| McVol | 220.990 | ml/mol | McGowan Calculated Property |
| Pc | 1668.70 | kPa | Joback Calculated Property |
| Inp | 1621.00 | NIST | |
| Tboil | 671.73 | K | Joback Calculated Property |
| Tc | 864.38 | K | Joback Calculated Property |
| Tfus | 365.29 | K | Joback Calculated Property |
| Vc | 0.865 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [604.56; 683.46] | J/mol×K | [671.73; 864.38] | 
|
| Cp,gas | 604.56 | J/mol×K | 671.73 | Joback Calculated Property |
| Cp,gas | 619.90 | J/mol×K | 703.84 | Joback Calculated Property |
| Cp,gas | 634.30 | J/mol×K | 735.95 | Joback Calculated Property |
| Cp,gas | 647.81 | J/mol×K | 768.05 | Joback Calculated Property |
| Cp,gas | 660.47 | J/mol×K | 800.16 | Joback Calculated Property |
| Cp,gas | 672.33 | J/mol×K | 832.27 | Joback Calculated Property |
| Cp,gas | 683.46 | J/mol×K | 864.38 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-(Trifluoromethyl)benzoic acid, oct-3-en-2-yl ester.
Sources
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