Chemical Properties of Butanoic acid, 3-methylbut-2-enyl ester

Butanoic acid, 3-methylbut-2-enyl ester

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InChI
InChI=1S/C9H16O2/c1-4-5-9(10)11-7-6-8(2)3/h6H,4-5,7H2,1-3H3
InChI Key
SQIPCPAQCPMJFW-UHFFFAOYSA-N
Formula
C9H16O2
SMILES
CCCC(=O)OCC=C(C)C
Molecular Weight1
156.22
Sources

Physical Properties

Property Value Unit Source
Δf -137.35 kJ/mol Joback Calculated Property
Δfgas -366.46 kJ/mol Joback Calculated Property
Δfus 20.74 kJ/mol Joback Calculated Property
Δvap 44.82 kJ/mol Joback Calculated Property
logPoct/wat 2.30 Crippen Calculated Property
Pc 2553.34 kPa Joback Calculated Property
Tboil 485.65 K Joback Calculated Property
Tc 670.48 K Joback Calculated Property
Tfus 244.31 K Joback Calculated Property
Vc 0.54 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 305.90 J/mol×K 485.65 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

3-methylbut-2-en-1-yl 3-methylbutanoate. Valeric acid, 3-methylbut-2-enyl ester. 4-Bromobutanoic acid, 3-methylbut-2-enyl ester. Hexanoic acid, 3-methyl-2-butenyl ester. Succinic acid, di(3-methylbut-2-en-1-yl) ester. 3-methylbut-2-en-1-yl 2-methylbutanoate. Glutaric acid, di(3-methylbut-2-enyl) ester. Glutaric acid, ethyl 3-methylbut-2-enyl ester. Octanoic acid, 3-methylbut-2-enyl ester. 5-Chlorovaleric acid, 3-methylbut-2-enyl ester. Sebacic acid, di(3-methylbut-2-enyl) ester. 5-bromovaleric acid, 3-methylbut-2-enyl ester. Butanoic acid, pent-2-en-4-ynyl ester. (Z)-2-Hexenyl butyrate. Butanoic acid, 2-hexenyl ester, (E)-.

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