Chemical Properties of Butanoic acid, 3-chloro, 1,1-dimethylethyl ester

Butanoic acid, 3-chloro, 1,1-dimethylethyl ester

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InChI
InChI=1S/C8H15ClO2/c1-6(9)5-7(10)11-8(2,3)4/h6H,5H2,1-4H3
InChI Key
CFBIYOIMTDPIIO-UHFFFAOYSA-N
Formula
C8H15ClO2
SMILES
CC(Cl)CC(=O)OC(C)(C)C
Molecular Weight1
178.66
Sources

Physical Properties

Property Value Unit Source
Δf -228.97 kJ/mol Joback Calculated Property
Δfgas -483.02 kJ/mol Joback Calculated Property
Δfus 12.52 kJ/mol Joback Calculated Property
Δvap 45.26 kJ/mol Joback Calculated Property
logPoct/wat 2.35 Crippen Calculated Property
Pc 2629.85 kPa Joback Calculated Property
Tboil 492.49 K Joback Calculated Property
Tc 688.63 K Joback Calculated Property
Tfus 269.42 K Joback Calculated Property
Vc 0.54 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 311.00 J/mol×K 492.49 Joback Calculated Property
η 0.00 Pa×s 492.49 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Butanoic acid, 3-chloro, 1-methylethyl ester. Butanoic acid, 3-chloro, 1,1-dimethylpropyl ester. Butanoic acid, 3-chloro, 1-methylpropyl ester. Propanoic acid, 3-chloro, 1,1-dimethylethyl ester. Ethyl 3-chlorobutanoate. Butanoic acid, 1,1-dimethylethyl ester. Butanoic acid, 3-chloro, 1-methylbutyl ester. Propyl 3-chlorobutanoate. Butanoic acid, 3-chloro, 1,2-dimethylpropyl ester. Butanoic acid, 4-chloro, 1,1-dimethylethyl ester. Butyl 3-chlorobutanoate. Pentanoic acid, 1,1-dimethylethyl ester. Butanoic acid, 3-chloro, 2-propynyl ester. Propanoic acid, 3-chloro, 1,1-dimethylpropyl ester. Butanoic acid, 3-chloro, 2-propenyl ester.

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