Chemical Properties of 4-(Trifluoromethyl)benzoic acid, but-3-yn-2-yl ester

4-(Trifluoromethyl)benzoic acid, but-3-yn-2-yl ester

InChI
InChI=1S/C12H9F3O2/c1-3-8(2)17-11(16)9-4-6-10(7-5-9)12(13,14)15/h1,4-8H,2H3
InChI Key
BAVOMQHSSVKTEP-UHFFFAOYSA-N
Formula
C12H9F3O2
SMILES
C#CC(C)OC(=O)c1ccc(C(F)(F)F)cc1
Molecular Weight1
242.19
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Physical Properties

Property Value Unit Source
ΔfusH° 26.14 kJ/mol Joback Calculated Property
logPoct/wat 2.884 Crippen Calculated Property
McVol 160.330 ml/mol McGowan Calculated Property
Inp [1250.00; 1250.00]   Show Hide
Inp 1250.00 NIST
Inp 1250.00 NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, 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 [378.93; 444.70] J/mol×K [548.30; 753.03] Show Hide
Cp,gas 378.93 J/mol×K 548.30 Joback Calculated Property
Cp,gas 392.08 J/mol×K 582.42 Joback Calculated Property
Cp,gas 404.30 J/mol×K 616.54 Joback Calculated Property
Cp,gas 415.63 J/mol×K 650.67 Joback Calculated Property
Cp,gas 426.11 J/mol×K 684.79 Joback Calculated Property
Cp,gas 435.78 J/mol×K 718.91 Joback Calculated Property
Cp,gas 444.70 J/mol×K 753.03 Joback Calculated Property

Similar Compounds

3-Trifluoromethylbenzoic acid, but-3-yn-2-yl ester. p-Toluic acid, but-3-yn-2-yl ester. 4-Fluorobenzoic acid, but-3-yn-2-yl ester. 4-Bromobenzoic acid, but-3-yn-2-yl ester. Isophthalic acid, di(but-3-yn-2-yl) ester. Ethyl 4-(trifluoromethyl)benzoate. 4-Chlorobenzoic acid, but-3-yn-2-yl ester. 4-(Trifluoromethyl)benzoic acid, hex-4-yn-3-yl ester. 3-Bromobenzoic acid, but-3-yn-2-yl ester. 3-Fluorobenzoic acid, but-3-yn-2-yl ester. 4-Nitrobenzoic acid, but-3-yn-2-yl ester. m-Toluic acid, but-3-yn-2-yl ester. 2-Fluorobenzoic acid, but-3-yn-2-yl ester. 3-Fluoro-4-trifluoromethylbenzoic acid, isopropyl ester. 4-Ethylbenzoic acid, but-3-yn-2-yl ester.

Find more compounds similar to 4-(Trifluoromethyl)benzoic acid, but-3-yn-2-yl ester.

Sources

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