Chemical Properties of Isooctyl acetate (CAS 68478-37-5)

Isooctyl acetate

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InChI
InChI=1S/C10H20O2/c1-9(2)7-5-4-6-8-12-10(3)11/h9H,4-8H2,1-3H3
InChI Key
DICUPLXUNISGAQ-UHFFFAOYSA-N
Formula
C10H20O2
SMILES
CC(=O)OCCCCCC(C)C
Molecular Weight1
172.26
CAS
68478-37-5
Other Names
  • Acetic acid, octyl ester, branched
Sources

Physical Properties

Property Value Unit Source
Δf -203.04 kJ/mol Joback Calculated Property
Δfgas -499.81 kJ/mol Joback Calculated Property
Δfus 20.92 kJ/mol Joback Calculated Property
Δvap 46.62 kJ/mol Joback Calculated Property
logPoct/wat 2.77 Crippen Calculated Property
Pc 2216.62 kPa Joback Calculated Property
Tboil 504.05 K Joback Calculated Property
Tc 679.81 K Joback Calculated Property
Tfus 259.62 K Joback Calculated Property
Vc 0.61 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 368.31 J/mol×K 504.05 Joback Calculated Property
η 0.00 Pa×s 504.05 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-O- (nonring) 1
-CH2- 5
>C=O (nonring) 1
-CH3 3

Similar Compounds

Acetic acid, heptyl ester. Heptacosyl acetate. 1-Docosanol, acetate. Acetic acid, dodecyl ester. Octacosyl acetate. pentacosyl acetate. Tricosyl acetate. Acetic acid, octadecyl ester. Acetic acid, nonyl ester. hexacosyl acetate. Triacontyl acetate. Acetic acid, octyl ester. 1-Pentadecanol acetate. Tetracosyl acetate. 1-Acetoxynonadecane.

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