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

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

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InChI
InChI=1S/C14H24O2/c1-4-7-8-9-10-12-14(15)16-13(6-3)11-5-2/h13H,4,6-10,12H2,1-3H3
InChI Key
UIYXGURQBFLUSB-UHFFFAOYSA-N
Formula
C14H24O2
SMILES
CC#CC(CC)OC(=O)CCCCCCC
Molecular Weight1
224.34
Sources

Physical Properties

Property Value Unit Source
Δf 33.44 kJ/mol Joback Calculated Property
Δfgas -310.07 kJ/mol Joback Calculated Property
Δfus 34.40 kJ/mol Joback Calculated Property
Δvap 57.68 kJ/mol Joback Calculated Property
logPoct/wat 3.69 Crippen Calculated Property
Pc 1813.86 kPa Joback Calculated Property
Tboil 604.57 K Joback Calculated Property
Tc 792.72 K Joback Calculated Property
Tfus 410.80 K Joback Calculated Property
Vc 0.80 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 528.90 J/mol×K 604.57 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-O- (nonring) 1
>C=O (nonring) 1
#C- 2
-CH2- 7
-CH3 3

Similar Compounds

Sebacic acid, hex-4-yn-3-yl propyl ester. Sebacic acid, di(hex-4-yn-3-yl) ester. Sebacic acid, butyl hex-4-yn-3-yl ester. Undec-10-ynoic acid, hex-4-yn-3-yl ester. Sebacic acid, hex-4-yn-3-yl pentadecyl ester. Sebacic acid, heptyl hex-4-yn-3-yl ester. Sebacic acid, hex-4-yn-3-yl octyl ester. Sebacic acid, hex-4-yn-3-yl undecyl ester. Sebacic acid, hex-4-yn-3-yl nonyl ester. Sebacic acid, hex-4-yn-3-yl tetradecyl ester. Sebacic acid, decyl hex-4-yn-3-yl ester. Sebacic acid, hex-4-yn-3-yl tridecyl ester. Sebacic acid, hexyl hex-4-yn-3-yl ester. Hexanoic acid, hex-4-yn-3-yl ester. Sebacic acid, hex-4-yn-3-yl isobutyl ester.

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