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

Benzoic acid, 3-chloro, undecyl ester

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InChI
InChI=1S/C18H27ClO2/c1-2-3-4-5-6-7-8-9-10-14-21-18(20)16-12-11-13-17(19)15-16/h11-13,15H,2-10,14H2,1H3
InChI Key
GGRPNDNQLZLCGS-UHFFFAOYSA-N
Formula
C18H27ClO2
SMILES
CCCCCCCCCCCOC(=O)c1cccc(Cl)c1
Molecular Weight1
310.86
Sources

Physical Properties

Property Value Unit Source
Δf -42.39 kJ/mol Joback Calculated Property
Δfgas -450.33 kJ/mol Joback Calculated Property
Δfus 43.01 kJ/mol Joback Calculated Property
Δvap 72.14 kJ/mol Joback Calculated Property
logPoct/wat 6.03 Crippen Calculated Property
Pc 1455.68 kPa Joback Calculated Property
Tboil 756.62 K Joback Calculated Property
Tc 953.54 K Joback Calculated Property
Tfus 433.64 K Joback Calculated Property
Vc 1.01 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 741.39 J/mol×K 756.62 Joback Calculated Property
η 0.00 Pa×s 756.62 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
-Cl 1
=CH- (ring) 4
=C< (ring) 2
-CH2- 10
-CH3 1
>C=O (nonring) 1

Similar Compounds

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

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