Chemical Properties of 3-Trifluoromethylbenzoic acid, 3-methylbut-2-enyl ester

3-Trifluoromethylbenzoic acid, 3-methylbut-2-enyl ester

InChI
InChI=1S/C13H13F3O2/c1-9(2)6-7-18-12(17)10-4-3-5-11(8-10)13(14,15)16/h3-6,8H,7H2,1-2H3
InChI Key
ZSJCOZKAUPZFTL-UHFFFAOYSA-N
Formula
C13H13F3O2
SMILES
CC(C)=CCOC(=O)c1cccc(C(F)(F)F)c1
Molecular Weight1
258.24
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Physical Properties

Property Value Unit Source
ΔfusH° 28.17 kJ/mol Joback Calculated Property
IE 9.24 eV Relay (1.0) Calculated Property
logPoct/wat 3.828 Crippen Calculated Property
McVol 178.720 ml/mol McGowan Calculated Property
Inp 1421.00 NIST
Tboil 525.66 K Relay (1.0) Calculated Property
Tfus 301.13 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, 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 [445.38; 517.79] J/mol×K [585.54; 782.25] Show Hide
Cp,gas 445.38 J/mol×K 585.54 Joback Calculated Property
Cp,gas 459.67 J/mol×K 618.33 Joback Calculated Property
Cp,gas 473.01 J/mol×K 651.11 Joback Calculated Property
Cp,gas 485.44 J/mol×K 683.90 Joback Calculated Property
Cp,gas 497.02 J/mol×K 716.68 Joback Calculated Property
Cp,gas 507.78 J/mol×K 749.47 Joback Calculated Property
Cp,gas 517.79 J/mol×K 782.25 Joback Calculated Property

Similar Compounds

4-(Trifluoromethyl)benzoic acid, 3-methylbut-2-enyl ester. Isophthalic acid, di(3-methylbut-2-en-1-yl) ester. 2-Trifluoromethylbenzoic acid, 3-methylbut-2-enyl ester. Isophthalic acid, ethyl 3-methylbut-2-en-1-yl ester. 3-Trifluoromethylbenzoic acid, pent-2-en-4-ynyl ester. Isophthalic acid, 3-methylbut-2-en-1-yl propyl ester. BENZOIC ACID, 3-METHYL-2-BUTENYL ESTER. Isophthalic acid, isobutyl 3-methylbut-2-en-1-yl ester. m-Toluic acid, 3-methylbut-2-enyl ester. 3-Trifluoromethylbenzoic acid, 3-chloroprop-2-enyl ester. Ethyl-3-trifluoromethyl benzoate. 3-Trifluoromethylbenzoic acid, undec-2-enyl ester. 4-Cyanobenzoic acid, 3-methyl-2-enyl ester. p-Toluic acid, 3-methylbut-2-enyl ester. 4-Fluorobenzoic acid, 3-methylbut-2-enyl ester.

Find more compounds similar to 3-Trifluoromethylbenzoic acid, 3-methylbut-2-enyl ester.

Sources

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