Chemical Properties of Phenylacetic acid, hex-4-yn-3-yl ester

Phenylacetic acid, hex-4-yn-3-yl ester

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InChI
InChI=1S/C14H16O2/c1-3-8-13(4-2)16-14(15)11-12-9-6-5-7-10-12/h5-7,9-10,13H,4,11H2,1-2H3
InChI Key
MTKBAYZOWSPANS-UHFFFAOYSA-N
Formula
C14H16O2
SMILES
CC#CC(CC)OC(=O)Cc1ccccc1
Molecular Weight1
216.28
Sources

Physical Properties

Property Value Unit Source
Δf 145.85 kJ/mol Joback Calculated Property
Δfgas -73.54 kJ/mol Joback Calculated Property
Δfus 28.44 kJ/mol Joback Calculated Property
Δvap 59.95 kJ/mol Joback Calculated Property
logPoct/wat 2.57 Crippen Calculated Property
Pc 2458.04 kPa Joback Calculated Property
Tboil 631.25 K Joback Calculated Property
Tc 858.83 K Joback Calculated Property
Tfus 437.22 K Joback Calculated Property
Vc 0.69 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 453.49 J/mol×K 631.25 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-O- (nonring) 1
>C=O (nonring) 1
=CH- (ring) 5
#C- 2
=C< (ring) 1
-CH2- 2
-CH3 2

Similar Compounds

Phenylacetic acid, 2-methyloct-5-yn-4-yl ester. Benzeneacetic acid, 1-methyl-2-propynyl ester. Hydratropic acid, hex-4-yn-3-yl ester. Phenylacetic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. Benzeneacetic acid, 4-chloro-, but-3-yn-2-yl ester. Phenylacetic acid, tridec-2-ynyl ester. Benzeneacetic acid, 4-chloro-, 2,7-dimethyloct-1-en-3-yn-5-yl ester. Hydratropic acid, 2-methyloct-5-yn-4-yl ester. Butyric acid, 2-phenyl-, hex-4-yn-3-yl ester. Benzeneacetic acid 1-methylethyl ester. Benzeneacetic acid, butyl ester. Phenylacetic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. Phenylacetic acid propyl ester. Benzeneacetic acid, 2-methylpropyl ester. Pentyl phenylacetate.

Find more compounds similar to Phenylacetic acid, hex-4-yn-3-yl ester.

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