Chemical Properties of n-Butyl-3-chloropropionate (CAS 27387-79-7)

n-Butyl-3-chloropropionate

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InChI
InChI=1S/C7H13ClO2/c1-2-3-6-10-7(9)4-5-8/h2-6H2,1H3
InChI Key
KRZKQEQBZXWCDJ-UHFFFAOYSA-N
Formula
C7H13ClO2
SMILES
CCCCOC(=O)CCCl
Molecular Weight1
164.63
CAS
27387-79-7
Other Names
  • 3-Chloropropionic acid, butyl ester
  • Butyl 3-chloropropanoate
  • Propanoic acid, 3-chloro-, butyl ester
  • butyl 3-chloropropionate
  • n-Butyl 3-chloropropionate
Sources

Physical Properties

Property Value Unit Source
Δcliquid -4078.10 ± 8.40 kJ/mol NIST
Δcliquid -4070.00 kJ/mol NIST
Δf -237.79 kJ/mol Joback Calculated Property
Δfgas -502.50 ± 9.60 kJ/mol NIST
Δfliquid -558.10 ± 8.40 kJ/mol NIST
Δfus 20.87 kJ/mol Joback Calculated Property
Δvap 55.60 ± 4.20 kJ/mol NIST
logPoct/wat 1.96 Crippen Calculated Property
Pc 2826.33 kPa Joback Calculated Property
Tboil 473.28 K Joback Calculated Property
Tc 655.90 K Joback Calculated Property
Tfus 270.73 K Joback Calculated Property
Vc 0.50 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 265.22 J/mol×K 473.28 Joback Calculated Property
η 0.00 Pa×s 473.28 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
>C=O (nonring) 1
-CH2- 5
-Cl 1
-CH3 1

Similar Compounds

3-Chloropropionic acid, pentyl ester. 3-Methylbutyl 3-chloropropionate. 3-Chloropropionic acid, hexyl ester. Propanoic acid, 3-chloro-, propyl ester. 3-Chloropropionic acid, heptyl ester. 3-Chloropropionic acid, tetradecyl ester. 3-Chloropropionic acid, octyl ester. 3-Chloropropionic acid, octadecyl ester. 3-Chlropropionic acid, nonyl ester. Propanoic acid, 3-chloro-, decyl ester. 3-Chloropropionic acid, hexadecyl ester. Butyl 3-chlorobutanoate. Propanoic acid, butyl ester. 1-Propanol, 3-chloro, butanoate. Propyl 3-chlorobutanoate.

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