Chemical Properties of 6-Chlorohexanoic acid, 3-methylphenyl ester

6-Chlorohexanoic acid, 3-methylphenyl ester

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

InChI
InChI=1S/C13H17ClO2/c1-11-6-5-7-12(10-11)16-13(15)8-3-2-4-9-14/h5-7,10H,2-4,8-9H2,1H3
InChI Key
ZRXIFYCSKIEIGD-UHFFFAOYSA-N
Formula
C13H17ClO2
SMILES
Cc1cccc(OC(=O)CCCCCCl)c1
Molecular Weight1
240.73
Sources

Physical Properties

Property Value Unit Source
Δf -84.49 kJ/mol Joback Calculated Property
Δfgas -347.13 kJ/mol Joback Calculated Property
Δfus 30.06 kJ/mol Joback Calculated Property
Δvap 61.01 kJ/mol Joback Calculated Property
logPoct/wat 3.70 Crippen Calculated Property
Pc 2181.56 kPa Joback Calculated Property
Tboil 642.22 K Joback Calculated Property
Tc 849.84 K Joback Calculated Property
Tfus 377.29 K Joback Calculated Property
Vc 0.73 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 471.36 J/mol×K 642.22 Joback Calculated Property
η 0.00 Pa×s 642.22 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
-Cl 1
=CH- (ring) 4
=C< (ring) 2
-CH2- 5
>C=O (nonring) 1
-CH3 1

Similar Compounds

Sebacic acid, di(3-methylphenyl) ester. Nonoic acid, 3-methylphenyl ester. Octanoic acid, 3-methylphenyl ester. Myristic acid, 3-methylphenyl ester. 5-Chlorovaleric acid, 3-methylphenyl ester. Valeric acid, 3-methylphenyl ester. 5-Bromovaleric acid, 3-methylphenyl ester. Glutaric acid, di(3-methylphenyl) ester. Lauric acid, 3,5-dimethylphenyl ester. Octanoic acid, 3,5-dimethylphenyl ester. Sebacic acid, di(3,5-dimethylphenyl) ester. Butanoic acid, 3-methylphenyl ester. Valeric acid, 3,5-dimethylphenyl ester. 4-Chlorobutyric acid, 3-methylphenyl ester. 3-Cyclopentylpropionic acid, 3-methylphenyl ester.

Find more compounds similar to 6-Chlorohexanoic acid, 3-methylphenyl 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.