Chemical Properties of 4-Methylpentyl 4-methylpentanoate (CAS 35852-42-7)

4-Methylpentyl 4-methylpentanoate

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InChI
InChI=1S/C12H24O2/c1-10(2)6-5-9-14-12(13)8-7-11(3)4/h10-11H,5-9H2,1-4H3
InChI Key
BQOKYGYERMXUDU-UHFFFAOYSA-N
Formula
C12H24O2
SMILES
CC(C)CCCOC(=O)CCC(C)C
Molecular Weight1
200.32
CAS
35852-42-7
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

Pentanoic acid, 4-methyl-, pentyl ester. Pentanoic acid, 4-methyl, butyl ester. Hexyl isohexanoate. Pentanoic acid, 4-methyl, propyl ester. Eicosyl 4-methylpentanoate. Pentanoic acid, 4-methyl, octyl ester. Pentanoic acid, 4-methyl, 3-methylbutyl ester. Butanoic acid, 4-methylpentyl ester. Ethyl isocaproate. Pentanoic acid, pentyl ester. Glutaric acid, isohexyl propyl ester. Glutaric acid, butyl isohexyl ester. Glutaric acid, isohexyl pentyl ester. Glutaric acid, di(isohexyl) ester. Glutaric acid, ethyl isohexyl ester.

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