Chemical Properties of Chloroacetic acid, 3-chloropropyl ester (CAS 62116-55-6)

Chloroacetic acid, 3-chloropropyl ester

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InChI
InChI=1S/C5H8Cl2O2/c6-2-1-3-9-5(8)4-7/h1-4H2
InChI Key
CWZVJVDIQWKNJX-UHFFFAOYSA-N
Formula
C5H8Cl2O2
SMILES
O=C(CCl)OCCCCl
Molecular Weight1
171.02
CAS
62116-55-6
Other Names
  • 1-Propanol, 3-chloro, chloroacetate
  • 3-chloropropyl chloroacetate
Sources

Physical Properties

Property Value Unit Source
Δf -266.56 kJ/mol Joback Calculated Property
Δfgas -422.81 kJ/mol Joback Calculated Property
Δfus 19.89 kJ/mol Joback Calculated Property
Δvap 44.65 kJ/mol Joback Calculated Property
logPoct/wat 1.40 Crippen Calculated Property
Pc 3356.75 kPa Joback Calculated Property
Tboil 464.95 K Joback Calculated Property
Tc 657.47 K Joback Calculated Property
Tfus 278.11 K Joback Calculated Property
Vc 0.44 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 209.33 J/mol×K 464.95 Joback Calculated Property
η 0.00 Pa×s 464.95 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
-CH2- 4
>C=O (nonring) 1
-Cl 2

Similar Compounds

Chloroacetic acid propyl ester. 1-Propanol, 3-chloro-, acetate. Acetic acid, chloro-, isobutyl ester. Chloroacetic acid butyl ester. 3-Buten-1-ol, chloroacetate. Acetic acid, dichloro-, propyl ester. 4-chlorobutyl chloroacetate. Ethyl chloroacetate. 1-Propanol, 3-chloro, propanoate. Acetic acid, chloro-, pentyl ester. 3-chloropentyl chloroacetate. Sec butyl chloroacetate. Propionic acid, 2-chloro-, propyl ester. Propyl 2-chloropropionate. 3-Methylbutyl chloroacetate.

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