Chemical Properties of Valeric acid, but-3-yn-2-yl ester

Valeric acid, but-3-yn-2-yl ester

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InChI
InChI=1S/C9H14O2/c1-4-6-7-9(10)11-8(3)5-2/h2,8H,4,6-7H2,1,3H3
InChI Key
OGADSAZXUBMXDM-UHFFFAOYSA-N
Formula
C9H14O2
SMILES
C#CC(C)OC(=O)CCCC
Molecular Weight1
154.21
Sources

Physical Properties

Property Value Unit Source
Δf 11.61 kJ/mol Joback Calculated Property
Δfgas -187.27 kJ/mol Joback Calculated Property
Δfus 21.30 kJ/mol Joback Calculated Property
Δvap 44.25 kJ/mol Joback Calculated Property
logPoct/wat 1.74 Crippen Calculated Property
Pc 2829.33 kPa Joback Calculated Property
Tboil 471.29 K Joback Calculated Property
Tc 660.70 K Joback Calculated Property
Tfus 295.32 K Joback Calculated Property
Vc 0.52 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 290.74 J/mol×K 471.29 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Hexanoic acid, but-3-yn-2-yl ester. Glutaric acid, di(but-3-yn-2-yl) ester. Glutaric acid, but-3-yn-2-yl ethyl ester. Glutaric acid, but-3-yn-2-yl isopropyl ester. 5-Chlorovaleric acid, but-3-yn-2-yl ester. 5-Bromovaleric acid, but-3-yn-2-yl ester. Sebacic acid, di(but-3-yn-2-yl) ester. Octanoic acid, but-3-yn-2-yl ester. Glutaric acid, but-3-yn-2-yl propyl ester. Glutaric acid, but-3-yn-2-yl butyl ester. Sebacic acid, but-3-yn-2-yl propyl ester. Undec-10-ynoic acid, but-3-yn-2-yl ester. Glutaric acid, but-3-yn-2-yl pentyl ester. 6-Bromohexanoic acid, but-3-yn-2-yl ester. Sebacic acid, butyl but-3-yn-2-yl ester.

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