Chemical Properties of Acetic acid, chloro-, isobutyl ester (CAS 13361-35-8)

Acetic acid, chloro-, isobutyl ester

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InChI
InChI=1S/C6H11ClO2/c1-5(2)4-9-6(8)3-7/h5H,3-4H2,1-2H3
InChI Key
QSGCJQBBHYWZHS-UHFFFAOYSA-N
Formula
C6H11ClO2
SMILES
CC(C)COC(=O)CCl
Molecular Weight1
150.60
CAS
13361-35-8
Other Names
  • Acetic acid, chloro-, 2-methylpropyl ester
  • Chloroacetic acid, 2-methylpropyl ester
  • Isobutyl chloroacetate
Sources

Physical Properties

Property Value Unit Source
Δcliquid -3399.00 kJ/mol NIST
Δf -248.65 kJ/mol Joback Calculated Property
Δfgas -432.99 kJ/mol Joback Calculated Property
Δfus 14.76 kJ/mol Joback Calculated Property
Δvap 40.00 kJ/mol NIST
logPoct/wat 1.424 Crippen Calculated Property
Pc 3166.83 kPa Joback Calculated Property
Tboil 449.96 K Joback Calculated Property
Tc 638.50 K Joback Calculated Property
Tfus 244.46 K Joback Calculated Property
Vc 0.439 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 225.04 J/mol×K 449.96 Joback Calculated Property
η 0.0002855 Pa×s 449.96 Joback Calculated Property
ΔvapH 43.90 kJ/mol 308.0 NIST

Molecular Descriptors

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

Similar Compounds

Chloroacetic acid propyl ester. Isobutyl dichloroacetate. Chloroacetic acid, 3-chloropropyl ester. Isobutyl acetate. Acetic acid, chloro, 1,2-dimethylpropyl ester. Propanoic acid, 2-chloro, 2-methylpropyl ester. Isobutyl 2-chloropropanoate. Chloroacetic acid butyl ester. Trichloroacetic acid 2-methylpropyl ester. 3-Buten-1-ol, chloroacetate. Acetic acid, dichloro-, propyl ester. Chloroacetic acid, 2-methylpentyl ester. 3-Methylbutyl chloroacetate. Sec butyl chloroacetate. Chloroacetic acid, 4-methoxy-2-methylbutyl ester.

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