Chemical Properties of Propyl 3-chlorobutanoate (CAS 62108-72-9)

Propyl 3-chlorobutanoate

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InChI
InChI=1S/C7H13ClO2/c1-3-4-10-7(9)5-6(2)8/h6H,3-5H2,1-2H3
InChI Key
OPZLOOXQPPMSKG-UHFFFAOYSA-N
Formula
C7H13ClO2
SMILES
CCCOC(=O)CC(C)Cl
Molecular Weight1
164.63
CAS
62108-72-9
Other Names
  • Butanoic acid, 3-chloro, propyl ester
  • n-Propyl 3-chlorobutyrate
Sources

Physical Properties

Property Value Unit Source
Δcliquid -4045.90 ± 8.40 kJ/mol NIST
Δcliquid -4039.00 kJ/mol NIST
Δf -240.23 kJ/mol Joback Calculated Property
Δfgas -538.10 ± 9.60 kJ/mol NIST
Δfliquid -590.40 ± 8.40 kJ/mol NIST
Δfus 17.35 kJ/mol Joback Calculated Property
Δvap 52.30 ± 4.20 kJ/mol NIST
logPoct/wat 1.96 Crippen Calculated Property
Pc 2850.52 kPa Joback Calculated Property
Tboil 472.84 K Joback Calculated Property
Tc 659.46 K Joback Calculated Property
Tfus 255.73 K Joback Calculated Property
Vc 0.49 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 265.41 J/mol×K 472.84 Joback Calculated Property
η 0.00 Pa×s 472.84 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-O- (nonring) 1
-Cl 1
>C=O (nonring) 1
-CH2- 3
-CH3 2

Similar Compounds

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

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