Chemical Properties of Benzoic acid, 3-chloro, 1-methyl-3-butenyl ester

Benzoic acid, 3-chloro, 1-methyl-3-butenyl ester

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InChI
InChI=1S/C12H13ClO2/c1-3-5-9(2)15-12(14)10-6-4-7-11(13)8-10/h3-4,6-9H,1,5H2,2H3
InChI Key
CELDXIWRLNPHGJ-UHFFFAOYSA-N
Formula
C12H13ClO2
SMILES
C=CCC(C)OC(=O)c1cccc(Cl)c1
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, 3-chloro, 1-methylpropyl ester. But-3-enyl 3-chlorobenzoate. 3-Methylbutan-2-yl 3-chlorobenzoate. 3-Chlorobenzoic acid, 2-pentyl ester. (E)-Hex-3-enyl 3-chlorobenzoate. (Z)-Hex-3-enyl 3-chlorobenzoate. 3,3-Dimethylbutan-2-yl 3-chlorobenzoate. Benzoic acid, 3-chloro, propyl ester. 3-Methylpentan-3-yl 3-chlorobenzoate. (Z)-Non-3-enyl 3-chlorobenzoate. Hexan-3-yl 3-chlorobenzoate. 2,4-Dimethylpentan-3-yl 3-chlorobenzoate. Hexan-2-yl 3-chlorobenzoate. 3-Chlorobenzoic acid, isopropyl ester. 4-Methylpentan-2-yl 3-chlorobenzoate.

Find more compounds similar to Benzoic acid, 3-chloro, 1-methyl-3-butenyl ester.

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