Chemical Properties of .alpha.-Citronellyl acetate (CAS 141-11-7)

.alpha.-Citronellyl acetate

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InChI
InChI=1S/C12H22O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h11H,1,5-9H2,2-4H3
InChI Key
WNXJCQNXNOOMDJ-UHFFFAOYSA-N
Formula
C12H22O2
SMILES
C=C(C)CCCC(C)CCOC(C)=O
Molecular Weight1
198.30
CAS
141-11-7
Other Names
  • rhodinyl acetate
Sources

Physical Properties

Property Value Unit Source
Δf -106.91 kJ/mol Joback Calculated Property
Δfgas -425.45 kJ/mol Joback Calculated Property
Δfus 23.51 kJ/mol Joback Calculated Property
Δvap 50.48 kJ/mol Joback Calculated Property
logPoct/wat 3.32 Crippen Calculated Property
Pc 1942.37 kPa Joback Calculated Property
Tboil 546.37 K Joback Calculated Property
Tc 725.06 K Joback Calculated Property
Tfus 266.44 K Joback Calculated Property
Vc 0.71 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 444.43 J/mol×K 546.37 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

3,7-Dimethyloctyl acetate. 3,7,11-Trimethyldodecylacetate. Acetic acid, 3,7,11,15-tetramethyl-hexadecyl ester. Cyclohexaneethanol, acetate. Dihydromyrcenyl acetate. Acetic acid, 3-(2-methoxyethyl)heptyl ester. Citronellyl acetate. 13-Tetradecen-1-ol acetate. 11-Dodecen-1-yl acetate. 9-Decen-1-yl acetate. 3,7-Dimethyl-6-nonen-1-ol acetate. Pimelic acid, 3,7-dimethyloctyl undecyl ester. Pimelic acid, di(3,7-dimethyloctyl) ester. Pimelic acid, 3,7-dimethyloctyl dodecyl ester. Pimelic acid, 3,7-dimethyloctyl tetradecyl ester.

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