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

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

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InChI
InChI=1S/C11H18O2/c1-4-7-9-11(12)13-10(6-3)8-5-2/h10H,4,6-7,9H2,1-3H3
InChI Key
JMTGAGXMQUQBSQ-UHFFFAOYSA-N
Formula
C11H18O2
SMILES
CC#CC(CC)OC(=O)CCCC
Molecular Weight1
182.26
Sources

Physical Properties

Property Value Unit Source
Δf 8.18 kJ/mol Joback Calculated Property
Δfgas -248.15 kJ/mol Joback Calculated Property
Δfus 26.63 kJ/mol Joback Calculated Property
Δvap 51.00 kJ/mol Joback Calculated Property
logPoct/wat 2.52 Crippen Calculated Property
Pc 2356.49 kPa Joback Calculated Property
Tboil 535.93 K Joback Calculated Property
Tc 731.09 K Joback Calculated Property
Tfus 376.99 K Joback Calculated Property
Vc 0.63 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 380.79 J/mol×K 535.93 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-O- (nonring) 1
>C=O (nonring) 1
#C- 2
-CH2- 4
-CH3 3

Similar Compounds

Hexanoic acid, hex-4-yn-3-yl ester. Butanoic acid, hex-4-yn-3-yl ester. Glutaric acid, di(hex-4-yn-3-yl) ester. Glutaric acid, hex-4-yn-3-yl isopropyl ester. Glutaric acid, but-3-yn-2-yl hex-4-yn-3-yl ester. Glutaric acid, ethyl hex-4-yn-3-yl ester. Glutaric acid, hex-4-yn-3-yl propyl ester. 5-Chlorovaleric acid, hex-4-yn-3-yl ester. 5-Bromovaleric acid, hex-4-yn-3-yl ester. Glutaric acid, butyl hex-4-yn-3-yl ester. Sebacic acid, hex-4-yn-3-yl propyl ester. Octanoic acid, hex-4-yn-3-yl ester. Sebacic acid, di(hex-4-yn-3-yl) ester. Glutaric acid, hex-4-yn-3-yl pentyl ester. Undec-10-ynoic acid, hex-4-yn-3-yl ester.

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