Chemical Properties of 4-Chlorobenzoic acid, 3-methylbut-2-enyl ester

4-Chlorobenzoic acid, 3-methylbut-2-enyl ester

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InChI
InChI=1S/C12H13ClO2/c1-9(2)7-8-15-12(14)10-3-5-11(13)6-4-10/h3-7H,8H2,1-2H3
InChI Key
SLMPDOANKJZGFW-UHFFFAOYSA-N
Formula
C12H13ClO2
SMILES
CC(C)=CCOC(=O)c1ccc(Cl)cc1
Molecular Weight1
224.68
Sources

Physical Properties

Property Value Unit Source
Δf -21.24 kJ/mol Joback Calculated Property
Δfgas -219.06 kJ/mol Joback Calculated Property
Δfus 26.36 kJ/mol Joback Calculated Property
Δvap 58.82 kJ/mol Joback Calculated Property
logPoct/wat 3.46 Crippen Calculated Property
Pc 2530.27 kPa Joback Calculated Property
Tboil 623.38 K Joback Calculated Property
Tc 846.88 K Joback Calculated Property
Tfus 346.98 K Joback Calculated Property
Vc 0.65 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 399.99 J/mol×K 623.38 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Benzoic acid, 4-chloro, (E)-2-butenyl ester. 4-Chlorobenzoic acid, 2-propenyl ester. 4-Chlorobenzoic acid, pent-2-en-4-ynyl ester. 4-Chlorobenzoic acid, 3-chloroprop-2-enyl ester. Ethyl-4-chlorobenzoate. 4-Chlorobenzoic acid, undec-2-enyl ester. 2-Buten-1-ol, 3-methyl-, benzoate. Benzoic acid, 4-chloro-, 1-methylethyl ester. 4-Chlorobenzoic acid, propyl ester. Benzoic acid, 4-chloro, 2-propynyl ester. P-toluic acid, 3-methylbut-2-enyl ester. 4-Chlorobenzoic acid, 2-chloroethyl ester. (E)-2-Butenyl benzoate. 2-Methoxyethyl 4-chlorobenzoate. 4-Chlorobenzoic acid, oct-3-en-2-yl ester.

Find more compounds similar to 4-Chlorobenzoic acid, 3-methylbut-2-enyl ester.

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