Chemical Properties of 4-Chlorobutyric acid, 2-pentyl ester

4-Chlorobutyric acid, 2-pentyl ester

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InChI
InChI=1S/C9H17ClO2/c1-3-5-8(2)12-9(11)6-4-7-10/h8H,3-7H2,1-2H3
InChI Key
IYOPZDQEJWNAAM-UHFFFAOYSA-N
Formula
C9H17ClO2
SMILES
CCCC(C)OC(=O)CCCCl
Molecular Weight1
192.68
Other Names
  • Butanoic acid, 4-chloro, 1-methylbutyl 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
-O- (nonring) 1
>CH- 1
-Cl 1
>C=O (nonring) 1
-CH2- 5
-CH3 2

Similar Compounds

Butanoic acid, 4-chloro, 1-methylpropyl ester. Butanoic acid, 1-methylbutyl ester. Pentanoic acid, 2-pentyl ester. 4-Chlorobutyric acid, cyclohexyl ester. Butanoic acid, 4-chloro, 1-methylethyl ester. 2-Pentanol, propanoate. 4-Chlorobutyric acid, 3-methylbutyl-2 ester. Succinic acid, monochloride, 2-hexyl ester. 2-Hexanol butanoate. 2-Pentanol, 3-methylbutanoate. Butanoic acid, 4-chloro, 1,1-dimethylpropyl ester. Succinic acid, monochloride 3-hexyl ester. 3-Chloropropanoic acid, 2-pentyl ester. Butanoic acid, 1-methylpropyl ester. Butyl 4-chlorobutanoate.

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