Chemical Properties of Hexan-3-yl 3-chlorobenzoate

Hexan-3-yl 3-chlorobenzoate

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InChI
InChI=1S/C13H17ClO2/c1-3-6-12(4-2)16-13(15)10-7-5-8-11(14)9-10/h5,7-9,12H,3-4,6H2,1-2H3
InChI Key
AOCUMMOCVLVVHT-UHFFFAOYSA-N
Formula
C13H17ClO2
SMILES
CCCC(CC)OC(=O)c1cccc(Cl)c1
Molecular Weight1
240.73
Sources

Physical Properties

Property Value Unit Source
Δf -86.93 kJ/mol Joback Calculated Property
Δfgas -352.41 kJ/mol Joback Calculated Property
Δfus 26.54 kJ/mol Joback Calculated Property
Δvap 60.62 kJ/mol Joback Calculated Property
logPoct/wat 4.08 Crippen Calculated Property
Pc 2197.95 kPa Joback Calculated Property
Tboil 641.78 K Joback Calculated Property
Tc 853.39 K Joback Calculated Property
Tfus 362.29 K Joback Calculated Property
Vc 0.72 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 471.84 J/mol×K 641.78 Joback Calculated Property
η 0.00 Pa×s 641.78 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-O- (nonring) 1
-CH3 2
=CH- (ring) 4
=C< (ring) 2
-CH2- 3
-Cl 1
>C=O (nonring) 1

Similar Compounds

3-Chlorobenzoic acid, 2-pentyl ester. 3-Chlorobenzoic acid, cyclohexyl ester. Hexan-2-yl 3-chlorobenzoate. 4-Methylpentan-2-yl 3-chlorobenzoate. Octan-2-yl 3-chlorobenzoate. Decan-2-yl 3-chlorobenzoate. Benzoic acid, 3-chloro, 1-methylpropyl ester. 3-Methylpentan-3-yl 3-chlorobenzoate. Butyl 3-chlorobenzoate. 2,4-Dimethylpentan-3-yl 3-chlorobenzoate. 3-Methylbutan-2-yl 3-chlorobenzoate. Benzoic acid, 3-chloro, pentyl ester. Benzoic acid, 3-chloro, hexyl ester. Benzoic acid, 3-chloro, 1-methyl-3-butenyl ester. Benzoic acid, 3-chloro, undecyl ester.

Find more compounds similar to Hexan-3-yl 3-chlorobenzoate.

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