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

3,5,5-Trimethylhexyl acetate

Download as PDF file Download as Excel file Download as 2D mole file Predict properties

InChI
InChI=1S/C11H22O2/c1-9(8-11(3,4)5)6-7-13-10(2)12/h9H,6-8H2,1-5H3
InChI Key
DGKXDLCVQSQVBC-UHFFFAOYSA-N
Formula
C11H22O2
SMILES
CC(=O)OCCC(C)CC(C)(C)C
Molecular Weight1
186.29
CAS
58430-94-7
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
Sources

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.

Find more compounds similar to 3,5,5-Trimethylhexyl acetate.

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.