Chemical Properties of 3-Trifluoromethylbenzoic acid, oct-3-en-2-yl ester

3-Trifluoromethylbenzoic acid, oct-3-en-2-yl ester

InChI
InChI=1S/C16H19F3O2/c1-3-4-5-6-8-12(2)21-15(20)13-9-7-10-14(11-13)16(17,18)19/h6-12H,3-5H2,1-2H3/b8-6+
InChI Key
CURIZVLIDWVEPQ-SOFGYWHQSA-N
Formula
C16H19F3O2
SMILES
CCCCC=CC(C)OC(=O)c1cccc(C(F)(F)F)c1
Molecular Weight1
300.32
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Physical Properties

Property Value Unit Source
ΔfusH° 33.72 kJ/mol Joback Calculated Property
logPoct/wat 4.997 Crippen Calculated Property
McVol 220.990 ml/mol McGowan Calculated Property
Inp 1607.00 NIST
Tboil 539.40 K Relay (1.0) Calculated Property
Tfus 287.55 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [598.82; 678.92] J/mol×K [653.86; 844.33] Show Hide
Cp,gas 598.82 J/mol×K 653.86 Joback Calculated Property
Cp,gas 614.49 J/mol×K 685.61 Joback Calculated Property
Cp,gas 629.16 J/mol×K 717.35 Joback Calculated Property
Cp,gas 642.89 J/mol×K 749.10 Joback Calculated Property
Cp,gas 655.73 J/mol×K 780.84 Joback Calculated Property
Cp,gas 667.72 J/mol×K 812.59 Joback Calculated Property
Cp,gas 678.92 J/mol×K 844.33 Joback Calculated Property

Similar Compounds

Isophthalic acid, di(oct-3-en-2-yl) ester. 2-Trifluoromethylbenzoic acid, oct-3-en-2-yl ester. 4-(Trifluoromethyl)benzoic acid, oct-3-en-2-yl ester. Isophthalic acid, oct-3-en-2-yl propyl ester. Isophthalic acid, isobutyl oct-3-en-2-yl ester. m-Toluic acid, oct-3-en-2-yl ester. Isophthalic acid, butyl oct-3-en-2-yl ester. 3-Trifluoromethylbenzoic acid, undec-2-enyl ester. Isophthalic acid, oct-3-en-2-yl pentyl ester. Isophthalic acid, hexyl oct-3-en-2-yl ester. o-Toluic acid, oct-3-en-2-yl ester. 4-Fluorobenzoic acid. oct-3-en-2-yl ester. 4-Cyanobenzoic acid, oct-3-en-2-yl ester. Isophthalic acid, isohexyl oct-3-en-2-yl ester. p-Toluic acid, oct-3-en-2-yl ester.

Find more compounds similar to 3-Trifluoromethylbenzoic acid, oct-3-en-2-yl ester.

Sources

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