Chemical Properties of Docosyl, isovalerate (CAS 202659-53-8)

Docosyl, isovalerate

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InChI
InChI=1S/C27H54O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-29-27(28)25-26(2)3/h26H,4-25H2,1-3H3
InChI Key
OFRPMAQLXIEORX-UHFFFAOYSA-N
Formula
C27H54O2
SMILES
CCCCCCCCCCCCCCCCCCCCCCOC(=O)CC(C)C
Molecular Weight1
410.72
CAS
202659-53-8
Sources

Physical Properties

Property Value Unit Source
Δf -59.90 kJ/mol Joback Calculated Property
Δfgas -850.69 kJ/mol Joback Calculated Property
Δfus 64.95 kJ/mol Joback Calculated Property
Δvap 84.46 kJ/mol Joback Calculated Property
logPoct/wat 9.40 Crippen Calculated Property
Pc 708.84 kPa Joback Calculated Property
Tboil 893.01 K Joback Calculated Property
Tc 1096.23 K Joback Calculated Property
Tfus 451.21 K Joback Calculated Property
Vc 1.57 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1350.92 J/mol×K 893.01 Joback Calculated Property
η 0.00 Pa×s 893.01 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-O- (nonring) 1
-CH2- 22
-CH3 3
>C=O (nonring) 1

Similar Compounds

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

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