Chemical Properties of Hexyl 3-chlorobutanoate

Hexyl 3-chlorobutanoate

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InChI
InChI=1S/C10H19ClO2/c1-3-4-5-6-7-13-10(12)8-9(2)11/h9H,3-8H2,1-2H3
InChI Key
SVLJQSLBKSCZRL-UHFFFAOYSA-N
Formula
C10H19ClO2
SMILES
CCCCCCOC(=O)CC(C)Cl
Molecular Weight1
206.71
Other Names
  • Butanoic acid, 3-chloro, hexyl ester
Sources

Physical Properties

Property Value Unit Source
Δf -214.97 kJ/mol Joback Calculated Property
Δfgas -515.55 kJ/mol Joback Calculated Property
Δfus 25.12 kJ/mol Joback Calculated Property
Δvap 51.01 kJ/mol Joback Calculated Property
logPoct/wat 3.13 Crippen Calculated Property
Pc 2141.36 kPa Joback Calculated Property
Tboil 541.48 K Joback Calculated Property
Tc 722.34 K Joback Calculated Property
Tfus 289.54 K Joback Calculated Property
Vc 0.66 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 398.76 J/mol×K 541.48 Joback Calculated Property
η 0.00 Pa×s 541.48 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-O- (nonring) 1
-Cl 1
>C=O (nonring) 1
-CH2- 6
-CH3 2

Similar Compounds

Butanoic acid, 3-chloro, octadecyl ester. Octyl 3-chlorobutanoate. Decyl 3-chlorobutanoate. Butanoic acid, 3-chloro, tetradecyl ester. Hexadecyl 3-chlorobutanoate. Pentyl 3-chlorobutanoate. Butyl 3-chlorobutanoate. Propyl 3-chlorobutanoate. 3-Chloropropionic acid, hexyl ester. Butanoic acid, 3-chloro, 3-methylbutyl ester. 3-Chloropropionic acid, heptyl ester. 3-Chloropropionic acid, tetradecyl ester. 3-Chlropropionic acid, nonyl ester. 3-Chloropropionic acid, octadecyl ester. 3-Chloropropionic acid, hexadecyl ester.

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