Chemical Properties of 3,7-Dimethyloctyl acetate (CAS 20780-49-8)

3,7-Dimethyloctyl acetate

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InChI
InChI=1S/C12H24O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h10-11H,5-9H2,1-4H3
InChI Key
XFPXWDJICXBWRU-UHFFFAOYSA-N
Formula
C12H24O2
SMILES
CC(=O)OCCC(C)CCCC(C)C
Molecular Weight1
200.32
CAS
20780-49-8
Other Names
  • 1-Octanol, 3,7-dimethyl-, acetate
  • 3,7-Dimethyl-1-octanol, acetate
  • 3,7-Dimethyloctanyl acetate
  • 3,7-dimethyl-1-octyl acetate
  • Dihydrocitronellyl acetate
  • Tetrahydrogeranyl acetate
Sources

Physical Properties

Property Value Unit Source
Δf -188.64 kJ/mol Joback Calculated Property
Δfgas -546.37 kJ/mol Joback Calculated Property
Δfus 22.58 kJ/mol Joback Calculated Property
Δvap 50.69 kJ/mol Joback Calculated Property
logPoct/wat 3.40 Crippen Calculated Property
Pc 1877.28 kPa Joback Calculated Property
Tboil 549.37 K Joback Calculated Property
Tc 725.46 K Joback Calculated Property
Tfus 267.16 K Joback Calculated Property
Vc 0.72 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 464.71 J/mol×K 549.37 Joback Calculated Property
η 0.00 Pa×s 549.37 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 2
-O- (nonring) 1
-CH2- 5
>C=O (nonring) 1
-CH3 4

Similar Compounds

Acetic acid, 3,7,11,15-tetramethyl-hexadecyl ester. 3,7,11-Trimethyldodecylacetate. Cyclohexaneethanol, acetate. Acetic acid, 3-(2-methoxyethyl)heptyl ester. .alpha.-Citronellyl acetate. Isooctyl acetate. 3,5,5-Trimethylhexyl acetate. Pimelic acid, decyl 3,7-dimethyloctyl ester. Pimelic acid, 3,7-dimethyloctyl pentadecyl ester. Pimelic acid, butyl 3,7-dimethyloctyl ester. Pimelic acid, di(3,7-dimethyloctyl) ester. Pimelic acid, 3,7-dimethyloctyl tetradecyl ester. Pimelic acid, 3,7-dimethyloctyl undecyl ester. Pimelic acid, 3,7-dimethyloctyl hexyl ester. Pimelic acid, 3,7-dimethyloctyl heptyl ester.

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