Chemical Properties of 3-Chlorobenzoic acid, 2-pentyl ester (CAS 97989-35-0)

3-Chlorobenzoic acid, 2-pentyl ester

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InChI
InChI=1S/C12H15ClO2/c1-3-5-9(2)15-12(14)10-6-4-7-11(13)8-10/h4,6-9H,3,5H2,1-2H3
InChI Key
LIWLUYIRIJKKJM-UHFFFAOYSA-N
Formula
C12H15ClO2
SMILES
CCCC(C)OC(=O)c1cccc(Cl)c1
Molecular Weight1
226.70
CAS
97989-35-0
Other Names
  • 3-Chlorobenzoic acid, 2-pentyl ester
  • Benzoic acid, 3-chloro, 1-methylbutyl ester
Sources

Physical Properties

Property Value Unit Source
Δf -95.35 kJ/mol Joback Calculated Property
Δfgas -331.77 kJ/mol Joback Calculated Property
Δfus 23.95 kJ/mol Joback Calculated Property
Δvap 58.40 kJ/mol Joback Calculated Property
logPoct/wat 3.69 Crippen Calculated Property
Pc 2410.00 kPa Joback Calculated Property
Tboil 618.90 K Joback Calculated Property
Tc 834.03 K Joback Calculated Property
Tfus 351.02 K Joback Calculated Property
Vc 0.67 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 421.78 J/mol×K 618.9 Joback Calculated Property
η 0.00 Pa×s 618.9 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Hexan-3-yl 3-chlorobenzoate. 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-Chlorobenzoic acid, cyclohexyl ester. Butyl 3-chlorobenzoate. 3-Methylbutan-2-yl 3-chlorobenzoate. Benzoic acid, 3-chloro, pentyl ester. Benzoic acid, 3-chloro, 1-methyl-3-butenyl ester. 1,5-Pentanediol, O,O'-bis(3-chlorobenzoyl)-. Pent-4-enyl 3-chlorobenzoate. Benzoic acid, 3-chloro, hexyl ester. 3-Methylpentan-3-yl 3-chlorobenzoate.

Find more compounds similar to 3-Chlorobenzoic acid, 2-pentyl ester.

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