Chemical Properties of Propanoic acid, 3-chloro-, methyl ester (CAS 6001-87-2)

Propanoic acid, 3-chloro-, methyl ester

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InChI
InChI=1S/C4H7ClO2/c1-7-4(6)2-3-5/h2-3H2,1H3
InChI Key
GZGJIACHBCQSPC-UHFFFAOYSA-N
Formula
C4H7ClO2
SMILES
COC(=O)CCCl
Molecular Weight1
122.55
CAS
6001-87-2
Other Names
  • Methyl 3-chloropropionate
  • Propionic acid, 3-chloro-, methyl ester
  • USAF do-7
Sources

Physical Properties

Property Value Unit Source
Δcliquid -2098.00 kJ/mol NIST
Δf -263.05 kJ/mol Joback Calculated Property
Δfgas -386.43 kJ/mol Joback Calculated Property
Δfus 13.10 kJ/mol Joback Calculated Property
Δvap 38.04 kJ/mol Joback Calculated Property
logPoct/wat 0.79 Crippen Calculated Property
Pc 3940.66 kPa Joback Calculated Property
Tboil 429.20 K NIST
Tc 592.13 K Joback Calculated Property
Tfus 236.92 K Joback Calculated Property
Vc 0.33 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 151.10 J/mol×K 404.64 Joback Calculated Property
η 0.00 Pa×s 404.64 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

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

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