Chemical Properties of Benzoic acid, 2-chloro, 2-methyl-3-butenyl ester

Benzoic acid, 2-chloro, 2-methyl-3-butenyl ester

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

InChI
InChI=1S/C12H13ClO2/c1-3-6-9(2)15-12(14)10-7-4-5-8-11(10)13/h3-5,7-9H,1,6H2,2H3
InChI Key
XMRCAEWCCWRLCF-UHFFFAOYSA-N
Formula
C12H13ClO2
SMILES
C=CCC(C)OC(=O)c1ccccc1Cl
Molecular Weight1
224.68
Sources

Physical Properties

Property Value Unit Source
Δf -7.51 kJ/mol Joback Calculated Property
Δfgas -206.34 kJ/mol Joback Calculated Property
Δfus 22.67 kJ/mol Joback Calculated Property
Δvap 57.73 kJ/mol Joback Calculated Property
logPoct/wat 3.46 Crippen Calculated Property
Pc 2512.55 kPa Joback Calculated Property
Tboil 615.58 K Joback Calculated Property
Tc 835.06 K Joback Calculated Property
Tfus 349.26 K Joback Calculated Property
Vc 0.65 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 400.48 J/mol×K 615.58 Joback Calculated Property
η 0.00 Pa×s 615.58 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Benzoic acid, 2-chloro, 1-methylpropyl ester. Benzoic acid, 2-chloro, 3-butenyl ester. 2-Chlorobenzoic acid, 3-methylbutyl-2 ester. 2-Chlorobenzoic acid, 2-pentyl ester. 2-Chlorobenzoic acid, cyclobutyl ester. Benzoic acid, 2-chloro, (E)-3-hexenyl ester. Benzoic acid, 2-chloro, (Z)-3-hexenyl ester. 2-Chlorobenzoic acid, isopropyl ester. Benzoic acid, 2-chloro, propyl ester. 2-Chlorobenzoic acid, 2-pentadecyl ester. 2-Chlorobenzoic acid, 2-tridecyl ester. 2-Chlorobenzoic acid, 2-tetradecyl ester. 2-Chlorobenzoic acid, 2-methylpropyl ester. Benzoic acid, 2-chloro, butyl ester. 2-Chlorobenzoic acid, 3-pentadecyl ester.

Find more compounds similar to Benzoic acid, 2-chloro, 2-methyl-3-butenyl 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.