Chemical Properties of 2-Chlorobenzoic acid, pentyl ester (CAS 70086-68-9)

2-Chlorobenzoic acid, pentyl ester

Download as PDF file Download as Excel file Download as 2D mole file Predict properties

InChI
InChI=1S/C12H15ClO2/c1-2-3-6-9-15-12(14)10-7-4-5-8-11(10)13/h4-5,7-8H,2-3,6,9H2,1H3
InChI Key
SUCIUJIXAHNYGX-UHFFFAOYSA-N
Formula
C12H15ClO2
SMILES
CCCCCOC(=O)c1ccccc1Cl
Molecular Weight1
226.70
CAS
70086-68-9
Other Names
  • Benzoic acid, 2-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
-Cl 1
=CH- (ring) 4
=C< (ring) 2
-CH2- 4
-CH3 1
>C=O (nonring) 1

Similar Compounds

2-Chlorobenzoic acid, hexyl ester. 2-Chlorobenzoic acid, heptyl ester. 2-Chlorobenzoic acid, undecyl ester. 2-Chlorobenzoic acid, octyl ester. 2-Chlorobenzoic acid, tetradecyl ester. 2-Chlorobenzoic acid, octadecyl ester. Benzoic acid, 2-chloro, dodecyl ester. 2-Chlorobenzoic acid, heptadecyl ester. 2-Chlorobenzoic acid, hexadecyl ester. 2-Chlorobenzoic acid, tridecyl ester. 2-Chlorobenzoic acid, pentadecyl ester. Benzoic acid, 2-chloro, butyl ester. 2-Chlorobenzoic acid, 3-methylbutyl ester. Benzoic acid, 2-chloro, 4-pentenyl ester. 2-Chlorobenzoic acid, 2-methylpentyl ester.

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.