Chemical Properties of 4-Chlorobutyric acid, 3-methylphenyl ester

4-Chlorobutyric acid, 3-methylphenyl ester

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InChI
InChI=1S/C11H13ClO2/c1-9-4-2-5-10(8-9)14-11(13)6-3-7-12/h2,4-5,8H,3,6-7H2,1H3
InChI Key
SYJCUBZSARZMMM-UHFFFAOYSA-N
Formula
C11H13ClO2
SMILES
Cc1cccc(OC(=O)CCCCl)c1
Molecular Weight1
212.67
Sources

Physical Properties

Property Value Unit Source
Δf -101.33 kJ/mol Joback Calculated Property
Δfgas -305.85 kJ/mol Joback Calculated Property
Δfus 24.88 kJ/mol Joback Calculated Property
Δvap 56.56 kJ/mol Joback Calculated Property
logPoct/wat 2.92 Crippen Calculated Property
Pc 2632.55 kPa Joback Calculated Property
Tboil 596.46 K Joback Calculated Property
Tc 810.87 K Joback Calculated Property
Tfus 354.75 K Joback Calculated Property
Vc 0.62 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 372.82 J/mol×K 596.46 Joback Calculated Property
η 0.00 Pa×s 596.46 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
-CH3 1
=CH- (ring) 4
=C< (ring) 2
-CH2- 3
-Cl 1
>C=O (nonring) 1

Similar Compounds

4-Chlorobutyric acid, 3,5-dimethylphenyl ester. Butanoic acid, 3-methylphenyl ester. 5-Chlorovaleric acid, 3-methylphenyl ester. 4-Chlorobutyric acid, 3-ethylphenyl ester. Valeric acid, 3-methylphenyl ester. 4-Bromobutyric acid, 3-methylphenyl ester. 4-Chlorobutyric acid, 3,4-dimethylphenyl ester. Butyric acid, 3,5-dimethylphenyl ester. 6-Chlorohexanoic acid, 3-methylphenyl ester. Glutaric acid, di(3-methylphenyl) ester. 5-Bromovaleric acid, 3-methylphenyl ester. Cyclopropanecarboxylic acid, 3-methylphenyl ester. Nonoic acid, 3-methylphenyl ester. Sebacic acid, di(3-methylphenyl) ester. Octanoic acid, 3-methylphenyl ester.

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