Chemical Properties of 4-Methylhexyl 3-methylbutanoate (CAS 1215127-80-2)

4-Methylhexyl 3-methylbutanoate

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InChI
InChI=1S/C12H24O2/c1-5-11(4)7-6-8-14-12(13)9-10(2)3/h10-11H,5-9H2,1-4H3
InChI Key
KQLITBHOONUXEL-UHFFFAOYSA-N
Formula
C12H24O2
SMILES
CCC(C)CCCOC(=O)CC(C)C
Molecular Weight1
200.32
CAS
1215127-80-2
Sources

Physical Properties

Property Value Unit Source
Δf -188.64 kJ/mol Joback Calculated Property
Δfgas -546.37 kJ/mol Joback Calculated Property
Δfus 22.58 kJ/mol Joback Calculated Property
Δvap 50.69 kJ/mol Joback Calculated Property
logPoct/wat 3.40 Crippen Calculated Property
Pc 1877.28 kPa Joback Calculated Property
Tboil 549.37 K Joback Calculated Property
Tc 725.46 K Joback Calculated Property
Tfus 267.16 K Joback Calculated Property
Vc 0.72 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 464.71 J/mol×K 549.37 Joback Calculated Property
η 0.00 Pa×s 549.37 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 2
-O- (nonring) 1
-CH2- 5
>C=O (nonring) 1
-CH3 4

Similar Compounds

4-Methylpentyl 3-methylbutanoate. Hexyl isovalerate. Butanoic acid, 3-methyl-, hexyl ester. 5-Methylhexyl 3-methylbutanoate. Heptyl isopentanoate. Isovaleric acid, nonyl ester. Isovaleric acid, pentadecyl ester. Isovaleric acid, decyl ester. Isovaleric acid, eicosyl ester. Isovaleric acid, nonadecyl ester. Butanoic acid, 3-methyl-, octyl ester. Isovaleric acid, tridecyl ester. Isovaleric acid, dodecyl ester. Docosyl, isovalerate. Isovaleric acid, heptadecyl ester.

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