Chemical Properties of 3-Fluoro-5-trifluoromethylbenzoic acid, 4-isopropylphenyl ester

3-Fluoro-5-trifluoromethylbenzoic acid, 4-isopropylphenyl ester

Download as PDF file Download as Excel file Download as 2D mole file Predict properties

InChI
InChI=1S/C17H14F4O2/c1-10(2)11-3-5-15(6-4-11)23-16(22)12-7-13(17(19,20)21)9-14(18)8-12/h3-10H,1-2H3
InChI Key
SVPCTDWCUKJVME-UHFFFAOYSA-N
Formula
C17H14F4O2
SMILES
CC(C)c1ccc(OC(=O)c2cc(F)cc(C(F)(F)F)c2)cc1
Molecular Weight1
326.29
Sources

Physical Properties

Property Value Unit Source
Δf -724.57 kJ/mol Joback Calculated Property
Δfgas -998.83 kJ/mol Joback Calculated Property
Δfus 30.87 kJ/mol Joback Calculated Property
Δvap 64.18 kJ/mol Joback Calculated Property
logPoct/wat 5.19 Crippen Calculated Property
Pc 1826.28 kPa Joback Calculated Property
Tboil 726.36 K Joback Calculated Property
Tc 936.57 K Joback Calculated Property
Tfus 433.69 K Joback Calculated Property
Vc 0.85 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 603.82 J/mol×K 726.36 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-O- (nonring) 1
-CH3 2
=CH- (ring) 7
=C< (ring) 5
-F 4
>C< 1
>C=O (nonring) 1

Similar Compounds

3-Fluoro-5-trifluoromethylbenzoic acid, phenyl ester. 3-Fluoro-5-trifluoromethylbenzoic acid, 4-methoxyphenyl ester. 3-Fluoro-5-trifluoromethylbenzoic acid, 3,4-dimethylphenyl ester. 3-Fluoro-5-trifluoromethylbenzoic acid, 3,5-dimethylphenyl ester. 3-Fluoro-5-trifluoromethylbenzoic acid, 3-fluorophenyl ester. 3-Fluoro-5-trifluoromethylbenzoic acid, 3,4-dichlorophenyl ester. 3-Fluoro-4-trifluoromethylbenzoic acid, 4-isopropylphenyl ester. 3-Fluoro-5-trifluoromethylbenzoic acid, 2,3-dichlorophenyl ester. 3-Trifluoromethylbenzoic acid, 4-cyanophenyl ester. 3-Fluoro-5-trifluoromethylbenzoic acid, 2-biphenyl ester. 3-Trifluoromethylbenzoic acid, phenyl ester. 2-Fluoro-3-trifluoromethylbenzoic acid, phenyl ester. 3-Trifluoromethylbenzoic acid, 4-benzyloxyphenyl ester. 2,5-Di(trifluoromethyl)benzoic acid, 4-isopropylphenyl ester. 3-Trifluoromethylbenzoic acid, 4-chlorophenyl ester.

Find more compounds similar to 3-Fluoro-5-trifluoromethylbenzoic acid, 4-isopropylphenyl ester.

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.