Chemical Properties of 2-Chlorobenzoic acid, but-3-yn-2-yl ester

2-Chlorobenzoic acid, but-3-yn-2-yl ester

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InChI
InChI=1S/C11H9ClO2/c1-3-8(2)14-11(13)9-6-4-5-7-10(9)12/h1,4-8H,2H3
InChI Key
NEARZUNSJNFJKJ-UHFFFAOYSA-N
Formula
C11H9ClO2
SMILES
C#CC(C)OC(=O)c1ccccc1Cl
Molecular Weight1
208.64
Sources

Physical Properties

Property Value Unit Source
Δf 119.30 kJ/mol Joback Calculated Property
Δfgas -19.23 kJ/mol Joback Calculated Property
Δfus 24.33 kJ/mol Joback Calculated Property
Δvap 56.03 kJ/mol Joback Calculated Property
logPoct/wat 2.52 Crippen Calculated Property
Pc 3110.57 kPa Joback Calculated Property
Tboil 586.14 K Joback Calculated Property
Tc 820.90 K Joback Calculated Property
Tfus 386.72 K Joback Calculated Property
Vc 0.57 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 333.25 J/mol×K 586.14 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

2-Chlorobenzoic acid, propargyl ester. 2-Chlorobenzoic acid, isopropyl ester. Benzoic acid, 2-chloro, 1-methylpropyl ester. Ethyl-2-chlorobenzoate. 2-Chlorobenzoic acid, tridec-2-ynyl ester. Benzoic acid, 2-chloro, propyl ester. 2-Chlorobenzoic acid, 3-methylbutyl-2 ester. 2-Chlorobenzoic acid, cyclobutyl ester. 2-Chlorobenzoic acid, allyl ester. 2-Chlorobenzoic acid, 2-pentyl ester. Benzoic acid, 2-chloro, 2-methyl-3-butenyl ester. 2-Methoxyethyl 2-chlorobenzoate. Benzoic acid, 2-chloro, (E)-2-butenyl ester. 2-Chlorobenzoic acid, 2-chloroethyl ester. 2-Chlorobenzoic acid, 2-methylpropyl ester.

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