Chemical Properties of Butanoic acid, 3-chloro, 2-propynyl ester

Butanoic acid, 3-chloro, 2-propynyl ester

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InChI
InChI=1S/C7H9ClO2/c1-3-4-10-7(9)5-6(2)8/h1,6H,4-5H2,2H3
InChI Key
SXWQUSUURHRLLH-UHFFFAOYSA-N
Formula
C7H9ClO2
SMILES
C#CCOC(=O)CC(C)Cl
Molecular Weight1
160.60
Sources

Physical Properties

Property Value Unit Source
Δf -17.16 kJ/mol Joback Calculated Property
Δfgas -161.73 kJ/mol Joback Calculated Property
Δfus 20.32 kJ/mol Joback Calculated Property
Δvap 44.19 kJ/mol Joback Calculated Property
logPoct/wat 1.18 Crippen Calculated Property
Pc 3360.64 kPa Joback Calculated Property
Tboil 462.96 K Joback Calculated Property
Tc 662.95 K Joback Calculated Property
Tfus 302.70 K Joback Calculated Property
Vc 0.46 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 234.78 J/mol×K 462.96 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Ethyl 3-chlorobutanoate. Propyl 3-chlorobutanoate. Butyl 3-chlorobutanoate. Propanoic acid, 3-chloro, 2-propynyl ester. Butanoic acid, 3-chloro, 1-methylethyl ester. Butanoic acid, 2-propynyl ester. Butanoic acid, 3-chloro, 2-methylpropyl ester. Pentyl 3-chlorobutanoate. Butanoic acid, 3-chloro, 2-propenyl ester. Butanoic acid, 3-chloro, 3-methylbutyl ester. Butanoic acid, 3-chloro, 1,1-dimethylethyl ester. Butanoic acid, 4-chloro, 2-propynyl ester. Butanoic acid, 3-chloro, 3-butenyl ester. Butanoic acid, 3-chloro, 4-pentenyl ester. Hexyl 3-chlorobutanoate.

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