Chemical Properties of Propanoic acid, 3,3,3-trichloro-, methyl ester (CAS 20618-02-4)

Propanoic acid, 3,3,3-trichloro-, methyl ester

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InChI
InChI=1S/C4H5Cl3O2/c1-9-3(8)2-4(5,6)7/h2H2,1H3
InChI Key
FBMIRDYZKMXRFO-UHFFFAOYSA-N
Formula
C4H5Cl3O2
SMILES
COC(=O)CC(Cl)(Cl)Cl
Molecular Weight1
191.44
CAS
20618-02-4
Sources

Physical Properties

Property Value Unit Source
Δf -284.07 kJ/mol Joback Calculated Property
Δfgas -426.66 kJ/mol Joback Calculated Property
Δfus 14.08 kJ/mol Joback Calculated Property
Δvap 45.51 kJ/mol Joback Calculated Property
logPoct/wat 1.92 Crippen Calculated Property
Pc 3682.02 kPa Joback Calculated Property
Tboil 476.27 K Joback Calculated Property
Tc 690.53 K Joback Calculated Property
Tfus 299.18 K Joback Calculated Property
Vc 0.42 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 195.64 J/mol×K 476.27 Joback Calculated Property
η 0.00 Pa×s 476.27 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
-Cl 3
>C=O (nonring) 1
-CH2- 1
>C< 1
-CH3 1

Similar Compounds

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

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