Chemical Properties of 1,6-Octadien-3-ol, 3,7-dimethyl-, acetate (CAS 115-95-7)

1,6-Octadien-3-ol, 3,7-dimethyl-, acetate

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InChI
InChI=1S/C12H20O2/c1-6-12(5,14-11(4)13)9-7-8-10(2)3/h6,8H,1,7,9H2,2-5H3
InChI Key
UWKAYLJWKGQEPM-UHFFFAOYSA-N
Formula
C12H20O2
SMILES
C=CC(C)(CCC=C(C)C)OC(C)=O
Molecular Weight1
196.29
CAS
115-95-7
Other Names
  • (.+/-.)-Linalyl acetate
  • 1,5-Dimethyl-1-vinyl-4-hexenyl acetate
  • 1,6-Octadien-3-ol, 3,7-dimethyl-, 3-acetate
  • 1,6-Octadien-3-ol, 3,7-dimethyl-, acetate
  • 3,7-Dimethyl-1,6-octadien-3-ol acetate
  • 3,7-Dimethyl-1,6-octadien-3-yl acetate
  • Acetic acid linalool ester
  • Bergamiol
  • Bergamol
  • Bergamot mint oil
  • Licareol acetate
  • Linalol acetate
  • Linalool acetate
  • Linaloyl acetate
  • Lynalyl acetate
  • NSC 2138
  • Phanteine
Sources

Physical Properties

Property Value Unit Source
Δf -21.41 kJ/mol Joback Calculated Property
Δfgas -311.70 kJ/mol Joback Calculated Property
Δfus 19.82 kJ/mol Joback Calculated Property
Δvap 49.53 kJ/mol Joback Calculated Property
logPoct/wat 3.24 Crippen Calculated Property
Pc 2054.89 kPa Joback Calculated Property
Tboil 493.20 K NIST
Tc 740.67 K Joback Calculated Property
Tfus 278.78 K Joback Calculated Property
Vc 0.68 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 428.80 J/mol×K 547.74 Joback Calculated Property
ΔvapH 57.80 kJ/mol 385.5 NIST
ΔvapH 56.80 kJ/mol 410.5 NIST

Molecular Descriptors

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

Similar Compounds

1,5-dimethyl-1-vinylhept-4-enyl acetate. (Z)-Nerolidol acetate. 1,6-Octadien-3-ol, 3,7-dimethyl-, propanoate. (Z)-Nerolidyl acetate. Nerolidyl acetate. trans-Nerolidyl Acetate. 1,5-Dimethyl-1-vinyl-4-hexenyl butyrate. Linalyl isobutyrate. Pentanoic acid, 1-ethenyl-1,5-dimethyl-4-hexenyl ester. Butanoic acid, 3-methyl-, 1-ethenyl-1,5-dimethyl-4-hexenyl ester. Nerolidyl propionate. Linalyl n-hexanoate. Linalyl heptanoate. Linalyl 2-methylbutanoate. 1,6-Octadien-3-ol, 3,7-dimethyl-, formate.

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