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

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

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InChI
InChI=1S/C12H20O2/c1-4-7-8-10-12(13)14-11(6-3)9-5-2/h11H,4,6-8,10H2,1-3H3
InChI Key
CNUDSCLGVZDVQX-UHFFFAOYSA-N
Formula
C12H20O2
SMILES
CC#CC(CC)OC(=O)CCCCC
Molecular Weight1
196.29
Sources

Physical Properties

Property Value Unit Source
Δf 16.60 kJ/mol Joback Calculated Property
Δfgas -268.79 kJ/mol Joback Calculated Property
Δfus 29.22 kJ/mol Joback Calculated Property
Δvap 53.23 kJ/mol Joback Calculated Property
logPoct/wat 2.912 Crippen Calculated Property
Pc 2151.31 kPa Joback Calculated Property
Tboil 558.81 K Joback Calculated Property
Tc 751.46 K Joback Calculated Property
Tfus 388.26 K Joback Calculated Property
Vc 0.688 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 428.47 J/mol×K 558.81 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-O- (nonring) 1
>C=O (nonring) 1
#C- 2
-CH2- 5
-CH3 3

Similar Compounds

Octanoic acid, hex-4-yn-3-yl ester. Sebacic acid, hex-4-yn-3-yl propyl ester. Sebacic acid, di(hex-4-yn-3-yl) ester. Valeric acid, hex-4-yn-3-yl ester. Undec-10-ynoic acid, hex-4-yn-3-yl ester. Sebacic acid, butyl hex-4-yn-3-yl ester. Sebacic acid, hex-4-yn-3-yl tetradecyl ester. Sebacic acid, hex-4-yn-3-yl nonyl ester. Sebacic acid, hex-4-yn-3-yl tridecyl ester. Sebacic acid, hexyl hex-4-yn-3-yl ester. Sebacic acid, hex-4-yn-3-yl pentadecyl ester. Sebacic acid, decyl hex-4-yn-3-yl ester. Sebacic acid, hex-4-yn-3-yl octyl ester. Sebacic acid, hex-4-yn-3-yl undecyl ester. 6-Bromohexanoic acid, hex-4-yn-3-yl ester.

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