Chemical Properties of Pentyl 3-chlorobutanoate

Pentyl 3-chlorobutanoate

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InChI
InChI=1S/C9H17ClO2/c1-3-4-5-6-12-9(11)7-8(2)10/h8H,3-7H2,1-2H3
InChI Key
XZQIKQRUJMEJAJ-UHFFFAOYSA-N
Formula
C9H17ClO2
SMILES
CCCCCOC(=O)CC(C)Cl
Molecular Weight1
192.68
Other Names
  • Butanoic acid, 3-chloro, pentyl ester
Sources

Physical Properties

Property Value Unit Source
Δf -223.39 kJ/mol Joback Calculated Property
Δfgas -494.91 kJ/mol Joback Calculated Property
Δfus 22.53 kJ/mol Joback Calculated Property
Δvap 48.78 kJ/mol Joback Calculated Property
logPoct/wat 2.74 Crippen Calculated Property
Pc 2345.09 kPa Joback Calculated Property
Tboil 518.60 K Joback Calculated Property
Tc 701.32 K Joback Calculated Property
Tfus 278.27 K Joback Calculated Property
Vc 0.61 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 352.38 J/mol×K 518.6 Joback Calculated Property
η 0.00 Pa×s 518.6 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-O- (nonring) 1
-Cl 1
>C=O (nonring) 1
-CH2- 5
-CH3 2

Similar Compounds

Hexyl 3-chlorobutanoate. Butyl 3-chlorobutanoate. Butanoic acid, 3-chloro, tetradecyl ester. Hexadecyl 3-chlorobutanoate. Octyl 3-chlorobutanoate. Decyl 3-chlorobutanoate. Butanoic acid, 3-chloro, octadecyl ester. Propyl 3-chlorobutanoate. Butanoic acid, 3-chloro, 3-methylbutyl ester. Butanoic acid, 3-chloro, 4-pentenyl ester. Ethyl 3-chlorobutanoate. 3-Chloropropionic acid, pentyl ester. Butanoic acid, 3-chloro, 2-methylpropyl ester. 3-Chloropropionic acid, hexyl ester. Butanoic acid, 3-chloro, 3-butenyl ester.

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