Chemical Properties of 4-Trifluoromethylbenzoic acid, 4-cyanophenyl ester

4-Trifluoromethylbenzoic acid, 4-cyanophenyl ester

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

InChI
InChI=1S/C15H8F3NO2/c16-15(17,18)12-5-3-11(4-6-12)14(20)21-13-7-1-10(9-19)2-8-13/h1-8H
InChI Key
FMQZMNLXCPDUQX-UHFFFAOYSA-N
Formula
C15H8F3NO2
SMILES
N#Cc1ccc(OC(=O)c2ccc(C(F)(F)F)cc2)cc1
Molecular Weight1
291.22
Sources

Physical Properties

Property Value Unit Source
Δf -401.35 kJ/mol Joback Calculated Property
Δfgas -579.81 kJ/mol Joback Calculated Property
Δfus 28.03 kJ/mol Joback Calculated Property
Δvap 70.75 kJ/mol Joback Calculated Property
logPoct/wat 3.80 Crippen Calculated Property
Pc 2222.89 kPa Joback Calculated Property
Tboil 778.87 K Joback Calculated Property
Tc 1010.93 K Joback Calculated Property
Tfus 478.03 K Joback Calculated Property
Vc 0.75 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 509.41 J/mol×K 778.87 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
-CN 1
-F 3
=CH- (ring) 8
=C< (ring) 4
>C< 1
>C=O (nonring) 1

Similar Compounds

P-toluic acid, 4-cyanophenyl ester. 4-Trifluoromethylbenzoic acid, 4-methoxyphenyl ester. 4-Trifluoromethylbenzoic acid, 4-benzyloxyphenyl ester. 4-Trifluoromethylbenzoic acid, 3-methylphenyl ester. 4-Trifluoromethylbenzoic acid, 4-chlorophenyl ester. 4-Trifluoromethylbenzoic acid, 3,5-dimethylphenyl ester. 3-Trifluoromethylbenzoic acid, 4-cyanophenyl ester. Benzoic acid, 4-cyano-, phenyl ester. P-anisic acid, 4-cyanophenyl ester. Benzoic acid, 4-butyl-, 4-cyanophenyl ester. Benzoic acid, 4-methylphenyl ester. Benzoic acid, 4-methyl-, phenyl ester. 4-Trifluoromethylbenzoic acid, 4-nitrophenyl ester. Diphenyl terephthalate. 4-Trifluoromethylbenzoic acid, 3,4-dichlorophenyl ester.

Find more compounds similar to 4-Trifluoromethylbenzoic acid, 4-cyanophenyl 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.