Chemical Properties of 4-Methylhexyl 2-methylbutanoate (CAS 850309-46-5)

4-Methylhexyl 2-methylbutanoate

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InChI
InChI=1S/C12H24O2/c1-5-10(3)8-7-9-14-12(13)11(4)6-2/h10-11H,5-9H2,1-4H3
InChI Key
JIRUNGNWQRCSRR-UHFFFAOYSA-N
Formula
C12H24O2
SMILES
CCC(C)CCCOC(=O)C(C)CC
Molecular Weight1
200.32
CAS
850309-46-5
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
-CH3 4
>C=O (nonring) 1

Similar Compounds

4-Methylpentyl 2-methylbutanoate. Butanoic acid, 2-methyl-, hexyl ester. 5-Methylhexyl 2-methylbutanoate. 2-Ethylbutyric acid, isohexyl ester. Butanoic acid, 2-methyl-, heptyl ester. Butanoic acid, 2-methyl-, pentyl ester. 2-Ethylbutyric acid, hexyl ester. Nonyl 2-methylbutanoate. Butanoic acid, 2-methyl-, octyl ester. Decyl 2-methylbutanoate. 6-Methylheptyl 2-methylbutanoate. 4-Methylhexyl isobutyrate. 2-Ethylbutyric acid, heptyl ester. Butanoic acid, 2-ethyl, pentyl ester. 2-Ethylbutyric acid, hexadecyl ester.

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