Chemical Properties of Heptyl isopentanoate (CAS 56423-43-9)

Heptyl isopentanoate

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InChI
InChI=1S/C12H24O2/c1-4-5-6-7-8-9-14-12(13)10-11(2)3/h11H,4-10H2,1-3H3
InChI Key
NPBMPHKEFVCCEY-UHFFFAOYSA-N
Formula
C12H24O2
SMILES
CCCCCCCOC(=O)CC(C)C
Molecular Weight1
200.32
CAS
56423-43-9
Other Names
  • heptyl 3-methylbutanoate
  • heptyl isovalerate
Sources

Physical Properties

Property Value Unit Source
Δf -186.20 kJ/mol Joback Calculated Property
Δfgas -541.09 kJ/mol Joback Calculated Property
Δfus 26.10 kJ/mol Joback Calculated Property
Δvap 51.07 kJ/mol Joback Calculated Property
logPoct/wat 3.55 Crippen Calculated Property
Pc 1864.33 kPa Joback Calculated Property
Tboil 549.81 K Joback Calculated Property
Tc 722.69 K Joback Calculated Property
Tfus 282.16 K Joback Calculated Property
Vc 0.73 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 464.44 J/mol×K 549.81 Joback Calculated Property
η 0.00 Pa×s 549.81 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-O- (nonring) 1
-CH2- 7
>C=O (nonring) 1
-CH3 3

Similar Compounds

Isovaleric acid, tetradecyl ester. Isovaleric acid, tetracosyl ester. Isovaleric acid, octadecyl ester. Isovaleric acid, heptadecyl ester. Docosyl, isovalerate. Isovaleric acid, nonadecyl ester. Isovaleric acid, undecyl ester. Isovaleric acid, dodecyl ester. Isovaleric acid, eicosyl ester. Isovaleric acid, decyl ester. Isovaleric acid, tridecyl ester. Butanoic acid, 3-methyl-, octyl ester. Isovaleric acid, nonyl ester. Isovaleric acid, pentadecyl ester. Butanoic acid, 3-methyl-, hexyl ester.

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