Chemical Properties of Benzeneacetic acid, 4-chloro-, but-3-yn-2-yl ester

Benzeneacetic acid, 4-chloro-, but-3-yn-2-yl ester

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InChI
InChI=1S/C12H11ClO2/c1-3-9(2)15-12(14)8-10-4-6-11(13)7-5-10/h1,4-7,9H,8H2,2H3
InChI Key
NAZJGJYUQCSYDH-UHFFFAOYSA-N
Formula
C12H11ClO2
SMILES
C#CC(C)OC(=O)Cc1ccc(Cl)cc1
Molecular Weight1
222.67
Sources

Physical Properties

Property Value Unit Source
Δf 127.72 kJ/mol Joback Calculated Property
Δfgas -39.87 kJ/mol Joback Calculated Property
Δfus 26.92 kJ/mol Joback Calculated Property
Δvap 58.26 kJ/mol Joback Calculated Property
logPoct/wat 2.45 Crippen Calculated Property
Pc 2802.44 kPa Joback Calculated Property
Tboil 609.02 K Joback Calculated Property
Tc 839.12 K Joback Calculated Property
Tfus 397.99 K Joback Calculated Property
Vc 0.63 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 379.92 J/mol×K 609.02 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Benzeneacetic acid, 1-methyl-2-propynyl ester. Phenylacetic acid, 4-chloro-, propyl ester. Benzeneacetic acid, 4-chloro-, tridec-2-yn-1-yl ester. Phenylacetic acid, 4-chloro-, butyl ester. Benzeneacetic acid, 4-chloro-, methyl ester. Phenylacetic acid, 4-chloro-, dodecyl ester. Phenylacetic acid, 4-chloro-, heptadecyl ester. Phenylacetic acid, 4-chloro-, tridecyl ester. Phenylacetic acid, 4-chloro-, hexadecyl ester. Phenylacetic acid, 4-chloro-, pentadecyl ester. Phenylacetic acid, 4-chloro-, tetradecyl ester. Phenylacetic acid, 4-chloro-, undecyl ester. Benzeneacetic acid 1-methylethyl ester. Phenylacetic acid, hex-4-yn-3-yl ester. Benzeneacetic acid, 4-chloro-, undec-2-en-1-yl ester.

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