Chemical Properties of ETHYL LINALOOL (CAS 72845-33-1)

ETHYL LINALOOL

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InChI
InChI=1S/C12H22O/c1-6-12(5,13-7-2)10-8-9-11(3)4/h6,9H,1,7-8,10H2,2-5H3
InChI Key
GSFBRCUXDDCNKV-UHFFFAOYSA-N
Formula
C12H22O
SMILES
C=CC(C)(CCC=C(C)C)OCC
Molecular Weight1
182.30
CAS
72845-33-1
Other Names
  • 3-Ethoxy-3,7-dimethyl-1,6-octadiene
  • 3-ethoxy-3,7-dimethylocta-1,6-diene
  • Ethoxylinalool
  • Ethyl linalool
Sources

Physical Properties

Property Value Unit Source
Δf 107.51 kJ/mol Joback Calculated Property
Δfgas -199.12 kJ/mol Joback Calculated Property
Δfus 18.22 kJ/mol Joback Calculated Property
Δvap 42.79 kJ/mol Joback Calculated Property
logPoct/wat 3.71 Crippen Calculated Property
Pc 1942.37 kPa Joback Calculated Property
Tboil 493.87 K Joback Calculated Property
Tc 677.89 K Joback Calculated Property
Tfus 228.85 K Joback Calculated Property
Vc 0.68 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 403.04 J/mol×K 493.87 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
=C< 1
=CH2 1
-CH2- 3
>C< 1
=CH- 2
-CH3 4

Similar Compounds

linalyl methyl ether. Linalool, methyl ether. 1,6-Octadien-3-ol, 3,7-dimethyl-, acetate. 1,5-dimethyl-1-vinylhept-4-enyl acetate. 1,6-Octadien-3-ol, 3,7-dimethyl-, formate. (Z)-Nerolidol acetate. 1,6-Octadien-3-ol, 3,7-dimethyl-, propanoate. (Z)-Nerolidyl acetate. trans-Nerolidyl Acetate. Nerolidyl acetate. 1,5-Dimethyl-1-vinyl-4-hexenyl butyrate. Ethanal, ethyl linalyl acetal, # 1. 1,6-Octadiene, 3-(1-ethoxyethoxy)-3,7-dimethyl-. Linalyl isobutyrate. Formic acid, 3,7,11-trimethyl-1,6,10-dodecatrien-3-yl ester.

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