Chemical Properties of isobutyl 5-hexenoate

isobutyl 5-hexenoate

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InChI
InChI=1S/C10H18O2/c1-4-5-6-7-10(11)12-8-9(2)3/h4,9H,1,5-8H2,2-3H3
InChI Key
CQKOOZOPDPSYIW-UHFFFAOYSA-N
Formula
C10H18O2
SMILES
C=CCCCC(=O)OCC(C)C
Molecular Weight1
170.25
Sources

Physical Properties

Property Value Unit Source
Δf -115.20 kJ/mol Joback Calculated Property
Δfgas -374.38 kJ/mol Joback Calculated Property
Δfus 19.64 kJ/mol Joback Calculated Property
Δvap 45.95 kJ/mol Joback Calculated Property
logPoct/wat 2.54 Crippen Calculated Property
Pc 2306.95 kPa Joback Calculated Property
Tboil 500.73 K Joback Calculated Property
Tc 679.83 K Joback Calculated Property
Tfus 257.86 K Joback Calculated Property
Vc 0.59 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 350.06 J/mol×K 500.73 Joback Calculated Property
η 0.00 Pa×s 500.73 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

isobutyl 5-octenoate. Pentanoic acid, 2-methylpropyl ester. Hex-5-enoic acid, ethyl ester. 5-hexenyl 5-hexenoate. isobutyl 7-octenoate. Hexanoic acid, 2-methylpropyl ester. isobutyl 9-decenoate. Isobutyl 10-undecenoate. hexyl 5-hexenoate. Valeric acid, 2,2-dimethylpropyl ester. Hexanedioic acid, bis(2-methylpropyl) ester. Pentanoic acid, 4-methyl, 2-methylpropyl ester. Heptanoic acid, 2-methylpropyl ester. Pimelic acid, di(2-methylpropyl) ester. Heneicosanoic acid, isobutyl ester.

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