Chemical Properties of Propanoic acid, 3,3-dichloro-, methyl ester (CAS 817-77-6)

Propanoic acid, 3,3-dichloro-, methyl ester

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InChI
InChI=1S/C4H6Cl2O2/c1-8-4(7)2-3(5)6/h3H,2H2,1H3
InChI Key
WGVLOKHINHKFDO-UHFFFAOYSA-N
Formula
C4H6Cl2O2
SMILES
COC(=O)CC(Cl)Cl
Molecular Weight1
156.99
CAS
817-77-6
Sources

Physical Properties

Property Value Unit Source
Δf -277.42 kJ/mol Joback Calculated Property
Δfgas -407.45 kJ/mol Joback Calculated Property
Δfus 13.77 kJ/mol Joback Calculated Property
Δvap 42.04 kJ/mol Joback Calculated Property
logPoct/wat 1.35 Crippen Calculated Property
Pc 3801.00 kPa Joback Calculated Property
Tboil 441.63 K Joback Calculated Property
Tc 640.84 K Joback Calculated Property
Tfus 251.84 K Joback Calculated Property
Vc 0.38 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 172.11 J/mol×K 441.63 Joback Calculated Property
η 0.00 Pa×s 441.63 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Propanoic acid, 3,3,3-trichloro-, methyl ester. Propanoic acid, 3-chloro-, methyl ester. Ethyl 3-chloropropionate. Propanoic acid, 3-chloro-, propyl ester. Methyl 3-chlorobutyrate. Propanoic acid, methyl ester. Propanoic acid, 3-chloro-. Propanoic acid, 3-chloro-, 1-methylethyl ester. Propanoic acid, 3-chloro, 2-propenyl ester. Propanoic acid, 2,3-dichloro-, methyl ester. Methyl 3,3,3-trichloro-2-hydroxypropanoate. Propanoic acid, 3-chloro, 2-propynyl ester. n-Butyl-3-chloropropionate. Methyl 2,3-bromochloropropanoate. Propanoic acid, 3-hydroxy-, methyl ester.

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