Chemical Properties of Methyl 3-chlorobutyrate (CAS 817-76-5)

Methyl 3-chlorobutyrate

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InChI
InChI=1S/C5H9ClO2/c1-4(6)3-5(7)8-2/h4H,3H2,1-2H3
InChI Key
HDQHWBXUKZBPDN-UHFFFAOYSA-N
Formula
C5H9ClO2
SMILES
COC(=O)CC(C)Cl
Molecular Weight1
136.58
CAS
817-76-5
Other Names
  • Butanoic acid, 3-chloro-, methyl ester
  • Methyl 3-chlorobutanoate
  • Methyl 3-chlorobutyrate
Sources

Physical Properties

Property Value Unit Source
Δcliquid -2735.00 kJ/mol NIST
Δf -257.07 kJ/mol Joback Calculated Property
Δfgas -412.35 kJ/mol Joback Calculated Property
Δfus 12.17 kJ/mol Joback Calculated Property
Δvap 39.88 kJ/mol Joback Calculated Property
logPoct/wat 1.18 Crippen Calculated Property
Pc 3538.87 kPa Joback Calculated Property
Tboil 427.08 K Joback Calculated Property
Tc 617.43 K Joback Calculated Property
Tfus 233.19 K Joback Calculated Property
Vc 0.38 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 186.92 J/mol×K 427.08 Joback Calculated Property
η 0.00 Pa×s 427.08 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Ethyl 3-chlorobutanoate. 3-Chloropentanoic acid, methyl ester. Propyl 3-chlorobutanoate. Butyl 3-chlorobutanoate. Butanoic acid, 3-chloro-. Butanoic acid, 3-chloro, 1-methylethyl ester. Propanoic acid, 3-chloro-, methyl ester. Pentyl 3-chlorobutanoate. Butanoic acid, 3-chloro, 2-propynyl ester. 3-Chlorohexanoic acid, methyl ester. Butanoic acid, 3-chloro, 2-propenyl ester. Butanoic acid, 3-chloro, 2-methylpropyl ester. Butanoic acid, methyl ester. Butanoic acid, 3-chloro, 3-methylbutyl ester. Butanoic acid, 3-chloro, 3-butenyl ester.

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