Chemical Properties of Butyl 3-chlorobutanoate (CAS 53815-59-1)

Butyl 3-chlorobutanoate

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InChI
InChI=1S/C8H15ClO2/c1-3-4-5-11-8(10)6-7(2)9/h7H,3-6H2,1-2H3
InChI Key
CPWVMAYZTIUFPZ-UHFFFAOYSA-N
Formula
C8H15ClO2
SMILES
CCCCOC(=O)CC(C)Cl
Molecular Weight1
178.66
CAS
53815-59-1
Other Names
  • Butyl 3-chlorobutanoate
  • n-Butyl 3-chlorobutyrate
Sources

Physical Properties

Property Value Unit Source
Δcliquid -4704.50 ± 8.40 kJ/mol NIST
Δcliquid -4695.30 kJ/mol NIST
Δf -231.81 kJ/mol Joback Calculated Property
Δfgas -557.70 ± 9.60 kJ/mol NIST
Δfliquid -610.90 ± 8.40 kJ/mol NIST
Δfus 19.94 kJ/mol Joback Calculated Property
Δvap 53.10 ± 4.20 kJ/mol NIST
logPoct/wat 2.35 Crippen Calculated Property
Pc 2579.34 kPa Joback Calculated Property
Tboil 495.72 K Joback Calculated Property
Tc 680.38 K Joback Calculated Property
Tfus 267.00 K Joback Calculated Property
Vc 0.55 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 307.89 J/mol×K 495.72 Joback Calculated Property
η 0.00 Pa×s 495.72 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
>CH- 1
-Cl 1
>C=O (nonring) 1
-CH2- 4
-CH3 2

Similar Compounds

Propyl 3-chlorobutanoate. Pentyl 3-chlorobutanoate. Butanoic acid, 3-chloro, 3-methylbutyl ester. Ethyl 3-chlorobutanoate. Hexyl 3-chlorobutanoate. Butanoic acid, 3-chloro, 4-pentenyl ester. Butanoic acid, 3-chloro, 2-methylpropyl ester. Butanoic acid, 3-chloro, tetradecyl ester. Butanoic acid, 3-chloro, octadecyl ester. Octyl 3-chlorobutanoate. Decyl 3-chlorobutanoate. Hexadecyl 3-chlorobutanoate. Butanoic acid, 3-chloro, 3-butenyl ester. n-Butyl-3-chloropropionate. Butanoic acid, 3-chloro, 1-methylpropyl ester.

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