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

Glutaric acid, but-3-yn-2-yl isopropyl ester

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InChI
InChI=1S/C12H18O4/c1-5-10(4)16-12(14)8-6-7-11(13)15-9(2)3/h1,9-10H,6-8H2,2-4H3
InChI Key
GIMMHMKISOBPSW-UHFFFAOYSA-N
Formula
C12H18O4
SMILES
C#CC(C)OC(=O)CCCC(=O)OC(C)C
Molecular Weight1
226.27
Sources

Physical Properties

Property Value Unit Source
Δf -199.49 kJ/mol Joback Calculated Property
Δfgas -499.27 kJ/mol Joback Calculated Property
Δfus 28.34 kJ/mol Joback Calculated Property
Δvap 59.70 kJ/mol Joback Calculated Property
logPoct/wat 1.67 Crippen Calculated Property
Pc 2237.64 kPa Joback Calculated Property
Tboil 615.78 K Joback Calculated Property
Tc 809.26 K Joback Calculated Property
Tfus 386.29 K Joback Calculated Property
Vc 0.71 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 473.55 J/mol×K 615.78 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Glutaric acid, but-3-yn-2-yl ethyl ester. Glutaric acid, di(but-3-yn-2-yl) ester. Glutaric acid, but-3-yn-2-yl propyl ester. Glutaric acid, but-3-yn-2-yl butyl ester. Glutaric acid, but-3-yn-2-yl pentyl ester. Valeric acid, but-3-yn-2-yl ester. Glutaric acid, but-3-yn-2-yl hexyl ester. Glutaric acid, but-3-yn-2-yl isobutyl ester. Glutaric acid, but-3-yl-2-yn 3-methylbutyl ester. Glutaric acid, but-3-yn-2-yl isohexyl ester. Glutaric acid, but-3-yn-2-yl heptyl ester. Glutaric acid, but-3-yn-2-yl tridecyl ester. Glutaric acid, but-3-yn-2-yl nonyl ester. Glutaric acid, but-3-yn-2-yl tetradecyl ester. Glutaric acid, but-3-yn-2-yl pentadecyl ester.

Find more compounds similar to Glutaric acid, but-3-yn-2-yl isopropyl ester.

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