Chemical Properties of Benzeneacetic acid, 4-chloro-, tridec-2-yn-1-yl ester

Benzeneacetic acid, 4-chloro-, tridec-2-yn-1-yl ester

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InChI
InChI=1S/C21H29ClO2/c1-2-3-4-5-6-7-8-9-10-11-12-17-24-21(23)18-19-13-15-20(22)16-14-19/h13-16H,2-10,17-18H2,1H3
InChI Key
YUBBPVFTUZYXFF-UHFFFAOYSA-N
Formula
C21H29ClO2
SMILES
CCCCCCCCCCC#CCOC(=O)Cc1ccc(Cl)cc1
Molecular Weight1
348.91
Sources

Physical Properties

Property Value Unit Source
Δf 185.67 kJ/mol Joback Calculated Property
Δfgas -239.95 kJ/mol Joback Calculated Property
Δfus 53.90 kJ/mol Joback Calculated Property
Δvap 80.97 kJ/mol Joback Calculated Property
logPoct/wat 5.96 Crippen Calculated Property
Pc 1323.28 kPa Joback Calculated Property
Tboil 834.26 K Joback Calculated Property
Tc 1042.88 K Joback Calculated Property
Tfus 573.55 K Joback Calculated Property
Vc 1.14 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 865.70 J/mol×K 834.26 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
-CH3 1
=CH- (ring) 4
#C- 2
=C< (ring) 2
-CH2- 11
-Cl 1
>C=O (nonring) 1

Similar Compounds

Phenylacetic acid, tridec-2-ynyl ester. Benzeneacetic acid, 4-chloro-, but-3-yn-2-yl ester. Phenylacetic acid, 4-chloro-, propyl ester. Phenylacetic acid, 4-chloro-, butyl ester. Phenylacetic acid, 4-chloro-, dodecyl ester. Phenylacetic acid, 4-chloro-, tetradecyl ester. Phenylacetic acid, 4-chloro-, undecyl ester. Phenylacetic acid, 4-chloro-, pentadecyl ester. Phenylacetic acid, 4-chloro-, heptadecyl ester. Phenylacetic acid, 4-chloro-, tridecyl ester. Phenylacetic acid, 4-chloro-, hexadecyl ester. Benzeneacetic acid, 4-chloro-, methyl ester. Benzeneacetic acid, 4-chloro-, undec-2-en-1-yl ester. Hydratropic acid, tridec-2-yn-1-yl ester. 1-Naphthaleneacetic acid, tridec-2-yn-1-yl ester.

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