Chemical Properties of Acetic acid, trifluoro-, 3-methylphenyl ester (CAS 1736-09-0)

Acetic acid, trifluoro-, 3-methylphenyl ester

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InChI
InChI=1S/C9H7F3O2/c1-6-3-2-4-7(5-6)14-8(13)9(10,11)12/h2-5H,1H3
InChI Key
FXNFSBCSHQEHSB-UHFFFAOYSA-N
Formula
C9H7F3O2
SMILES
Cc1cccc(OC(=O)C(F)(F)F)c1
Molecular Weight1
204.15
CAS
1736-09-0
Other Names
  • 3-Methylphenyl trifluoroacetate
  • Acetic acid, trifluoro-, m-tolyl ester
  • Trifluoroacetic acid, 3-methylphenyl ester
  • Trifluoroacetic acid, 3-tolyl ester
Sources

Physical Properties

Property Value Unit Source
Δf -687.83 kJ/mol Joback Calculated Property
Δfgas -845.91 kJ/mol Joback Calculated Property
Δfus 17.33 kJ/mol Joback Calculated Property
Δvap 43.97 kJ/mol Joback Calculated Property
logPoct/wat 2.46 Crippen Calculated Property
Pc 2966.57 kPa Joback Calculated Property
Tboil 507.85 K Joback Calculated Property
Tc 706.00 K Joback Calculated Property
Tfus 306.48 K Joback Calculated Property
Vc 0.50 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 284.63 J/mol×K 507.85 Joback Calculated Property
ΔvapH 47.40 kJ/mol 401.0 NIST

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
-F 3
=CH- (ring) 4
=C< (ring) 2
>C< 1
-CH3 1
>C=O (nonring) 1

Similar Compounds

3,5-Dimethylphenyl 2,2,2-trifluoroacetate. 3-Ethylphenol, O-trifluoroacetyl-. Orcinol, bis(trifluoroacetate). 2,5-Dimethylphenol trifluoroacetate. p-Tolyl trifluoroacetate. Acetic acid, 3-methylphenyl ester. Trifluoroacetic acid, 4-cyanophenyl ester. 3,5-Dimethylphenol acetate. Acetic acid, 2,2,2-trifluoro-, 4-methoxyphenyl ester. m-Hydroxyphenylacetic acid, TFA-ME. Chloroacetic acid, 3-methylphenyl ester. Phenol, 3,4-dimethyl-, acetate. Methyl 3-trifluoroacetyloxybenzoate. Orcinol, monoacetate. M-ethylphenyl acetate.

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