Chemical Properties of Benzoic acid, 3-chloro, pentyl ester

Benzoic acid, 3-chloro, pentyl ester

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InChI
InChI=1S/C12H15ClO2/c1-2-3-4-8-15-12(14)10-6-5-7-11(13)9-10/h5-7,9H,2-4,8H2,1H3
InChI Key
VIQQKZNPKPNBKW-UHFFFAOYSA-N
Formula
C12H15ClO2
SMILES
CCCCCOC(=O)c1cccc(Cl)c1
Molecular Weight1
226.70
Other Names
  • Benzoic acid, 3-chloro, pentyl ester
Sources

Physical Properties

Property Value Unit Source
Δf -92.91 kJ/mol Joback Calculated Property
Δfgas -326.49 kJ/mol Joback Calculated Property
Δfus 27.47 kJ/mol Joback Calculated Property
Δvap 58.79 kJ/mol Joback Calculated Property
logPoct/wat 3.69 Crippen Calculated Property
Pc 2391.19 kPa Joback Calculated Property
Tboil 619.34 K Joback Calculated Property
Tc 830.22 K Joback Calculated Property
Tfus 366.02 K Joback Calculated Property
Vc 0.67 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 421.33 J/mol×K 619.34 Joback Calculated Property
η 0.00 Pa×s 619.34 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

1,5-Pentanediol, O,O'-bis(3-chlorobenzoyl)-. Benzoic acid, 3-chloro, hexyl ester. Benzoic acid, 3-chloro, decyl ester. Dodecyl 3-chlorobenzoate. Tetradecyl 3-chlorobenzoate. Benzoic acid, 3-chloro, undecyl ester. Benzoic acid, 3-chloro, nonyl ester. Butyl 3-chlorobenzoate. 3-Chlorobenzoic acid, 6-chlorohexyl ester. Pent-4-enyl 3-chlorobenzoate. 10-Chlorodecyl 3-chlorobenzoate. Benzoic acid, 3-chloro, 3-methylbutyl ester. 2-Methylpentyl 3-chlorobenzoate. Benzoic acid, 3-chloro, propyl ester. 3-Chlorobenzoic acid, 2-methylbutyl ester.

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