Chemical Properties of Ethyl 2-chloropropionate (CAS 535-13-7)

Ethyl 2-chloropropionate

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InChI
InChI=1S/C5H9ClO2/c1-3-8-5(7)4(2)6/h4H,3H2,1-2H3
InChI Key
JEAVBVKAYUCPAQ-UHFFFAOYSA-N
Formula
C5H9ClO2
SMILES
CCOC(=O)C(C)Cl
Molecular Weight1
136.58
CAS
535-13-7
Other Names
  • 2-Chloropropionic acid, ethyl ester
  • Ethyl 2-chloropropanoate
  • Ethyl 2-chloropropionate
  • Ethyl «alpha»-chloropropionate
  • Propionic acid, 2-chloro-, ethyl ester
  • UN 2935
Sources

Physical Properties

Property Value Unit Source
Δcliquid -2761.90 ± 2.10 kJ/mol NIST
Δcliquid -2737.00 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 420.70 K NIST
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
Cp,liquid 220.50 J/mol×K 298.0 NIST
η 0.00 Pa×s 427.08 Joback Calculated Property
ΔvapH 46.50 kJ/mol 349.5 NIST

Molecular Descriptors

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

Similar Compounds

Propionic acid, 2-chloro-, propyl ester. Propyl 2-chloropropionate. Isopropyl, alpha-chloro propionate. Propanoic acid, 2-chloro-, 2-propenyl ester. Propanoic acid, 2-chloro, 2-propynyl ester. Propanoic acid, 2-chloro-, methyl ester. Propanoic acid, 2-chloro-, methyl ester, (S)-. Propanoic acid, 2-chloro, 2-methylpropyl ester. Ethyl-2,3-dichloropropionate. Ethyl 2,3-dichloropropionate. n-Butyl-2-chloropropionate. Isobutyl 2-chloropropanoate. Ethyl 2-chlorobutanoate. Propanoic acid, 2-chloro-, 1,1-dimethylethyl ester. Propanoic acid, 2-chloro, 3-butenyl ester.

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