Chemical Properties of 3,5,5-Trimethylhexyl acetate (CAS 58430-94-7)

3,5,5-Trimethylhexyl acetate

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InChI Key
Molecular Weight1
Other Names
  • 1-Hexanol, 3,5,5-trimethyl-, acetate
  • 3,5,5-Trimethyl-1-hexanol acetate
  • Acetic acid 3,5,5-trimethylhexyl ester
  • Isononyl acetate

Physical Properties

Property Value Unit Source
Δf -191.78 kJ/mol Joback Calculated Property
Δfgas -529.20 kJ/mol Joback Calculated Property
Δfus 16.10 kJ/mol Joback Calculated Property
Δvap 47.55 kJ/mol Joback Calculated Property
logPoct/wat 3.01 Crippen Calculated Property
Pc 2064.24 kPa Joback Calculated Property
Tboil 523.70 K Joback Calculated Property
Tc 707.84 K Joback Calculated Property
Tfus 273.31 K Joback Calculated Property
Vc 0.66 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 418.38 J/mol×K 523.7 Joback Calculated Property
η 0.00 Pa×s 523.7 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

3,7,11-Trimethyldodecylacetate. Acetic acid, 3,7,11,15-tetramethyl-hexadecyl ester. 3,7-Dimethyloctyl acetate. Hexanoic acid, 3,5,5-trimethyl-, hexyl ester. Hexanoic acid, 3,5,5-trimethyl-, pentyl ester. Cyclohexaneethanol, acetate. Acetic acid, 3-methylpentyl ester. Acetic acid, 3-(2-methoxyethyl)heptyl ester. Hexanoic acid, 3,5,5-trimethyl-, butyl ester. Hexanoic acid, 3,5,5-trimethyl-, heptyl ester. Hexanoic acid, 3,5,5-trimethyl-, octadecyl ester. Hexanoic acid, 3,5,5-trimethyl-, nonyl ester. Hexanoic acid, 3,5,5-trimethyl-, hexadecyl ester. Hexanoic acid, 3,5,5-trimethyl-, tetradecyl ester. Hexanoic acid, 3,5,5-trimethyl-, tridecyl ester.

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