Chemical Properties of Chloroacetic acid, 3,5-dimethylphenyl ester

Chloroacetic acid, 3,5-dimethylphenyl ester

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InChI
InChI=1S/C10H11ClO2/c1-7-3-8(2)5-9(4-7)13-10(12)6-11/h3-5H,6H2,1-2H3
InChI Key
WQVBITVXKZGBJJ-UHFFFAOYSA-N
Formula
C10H11ClO2
SMILES
Cc1cc(C)cc(OC(=O)CCl)c1
Molecular Weight1
198.65
Sources

Physical Properties

Property Value Unit Source
Δf -119.38 kJ/mol Joback Calculated Property
Δfgas -296.68 kJ/mol Joback Calculated Property
Δfus 21.90 kJ/mol Joback Calculated Property
Δvap 55.00 kJ/mol Joback Calculated Property
logPoct/wat 2.45 Crippen Calculated Property
Pc 2865.80 kPa Joback Calculated Property
Tboil 578.56 K Joback Calculated Property
Tc 797.75 K Joback Calculated Property
Tfus 356.00 K Joback Calculated Property
Vc 0.56 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 325.21 J/mol×K 578.56 Joback Calculated Property
η 0.00 Pa×s 578.56 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
-Cl 1
=CH- (ring) 3
=C< (ring) 3
-CH2- 1
-CH3 2
>C=O (nonring) 1

Similar Compounds

Chloroacetic acid, 3-methylphenyl ester. 3,5-Dimethylphenol acetate. Trichloroacetic acid, 3,5-dimethylphenyl ester. Dichloroacetic acid, 3-methylphenyl ester. 2-Chloropropionic acid, 3,5-dimethylphenyl ester. Acetic acid, 3-methylphenyl ester. Chloroacetic acid, 3-ethylphenyl ester. Trichloroacetic acid, 3-methylphenyl ester. 2-Chloropropionic acid, 3-methylphenyl ester. 2-Chloropropionic acid, 3-methylphenyl ester. 2-Methylpropionic acid, 3,5-dimethylphenyl ester. Butyric acid, 3,5-dimethylphenyl ester. Phenol, 3,4-dimethyl-, acetate. 4-Chlorobutyric acid, 3,5-dimethylphenyl ester. 2,2-Dimethylpropanoic acid, 3,5-dimethylphenyl ester.

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