Chemical Properties of 4-Methylpentyl 3-methylbutanoate (CAS 850309-45-4)

4-Methylpentyl 3-methylbutanoate

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InChI
InChI=1S/C11H22O2/c1-9(2)6-5-7-13-11(12)8-10(3)4/h9-10H,5-8H2,1-4H3
InChI Key
UBSHDOVFGRHFJF-UHFFFAOYSA-N
Formula
C11H22O2
SMILES
CC(C)CCCOC(=O)CC(C)C
Molecular Weight1
186.29
CAS
850309-45-4
Sources

Physical Properties

Property Value Unit Source
Δf -197.06 kJ/mol Joback Calculated Property
Δfgas -525.73 kJ/mol Joback Calculated Property
Δfus 19.99 kJ/mol Joback Calculated Property
Δvap 48.46 kJ/mol Joback Calculated Property
logPoct/wat 3.01 Crippen Calculated Property
Pc 2043.76 kPa Joback Calculated Property
Tboil 526.49 K Joback Calculated Property
Tc 704.16 K Joback Calculated Property
Tfus 255.89 K Joback Calculated Property
Vc 0.66 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 415.72 J/mol×K 526.49 Joback Calculated Property
η 0.00 Pa×s 526.49 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

N-amyl isovalerate. 4-Methylhexyl 3-methylbutanoate. Butanoic acid, 3-methyl-, hexyl ester. Hexyl isovalerate. Butanoic acid, 4-methylpentyl ester. 5-Methylhexyl 3-methylbutanoate. Heptyl isopentanoate. Butanoic acid, 3-methyl-, butyl ester. Docosyl, isovalerate. Isovaleric acid, tetracosyl ester. Isovaleric acid, tridecyl ester. Isovaleric acid, heptadecyl ester. Isovaleric acid, decyl ester. Butanoic acid, 3-methyl-, octyl ester. Isovaleric acid, nonadecyl ester.

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