Chemical Properties of Propanoic acid, 2-methyl-, 3,7-dimethyl-2,6-octadienyl ester, (E)- (CAS 2345-26-8)

Propanoic acid, 2-methyl-, 3,7-dimethyl-2,6-octadienyl ester, (E)-

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InChI
InChI=1S/C14H24O2/c1-11(2)7-6-8-13(5)9-10-16-14(15)12(3)4/h7,9,12H,6,8,10H2,1-5H3/b13-9-
InChI Key
OGJYXQFXLSCKTP-LCYFTJDESA-N
Formula
C14H24O
SMILES
CC(C)=CCCC(C)=CCOC(=O)C(C)C
Molecular Weight1
208.34
CAS
2345-26-8
Other Names
  • 2,6-Octadien-1-ol, 3,7-dimethyl-, isobutyrate, trans-
  • 3,7-Dimethyl-2,6-octadienyl isobutyrate
  • 3,7-Dimethyl-2,6-octadienyl isobutyrate, (E)-
  • Geraniol isobutyrate
  • Geranyl 2-methylpropanoate
  • Geranyl isobutanoate
  • Geranyl isobutyrate
  • Isobutyric acid, (E)-3,7-dimethyl-2,6-octadienyl ester
  • Isobutyric acid, 3,7-dimethyl-2,6-octadienyl ester, (E)-
  • Isobutyric acid, 3,7-dimethyl-2,6-octadienyl ester, trans-
  • Propanoic acid, 2-methyl-, (2E)-3,7-dimethyl-2,6-octadien-1-yl ester
  • Propanoic acid, 2-methyl-, (2E)-3,7-dimethyl-2,6-octadienyl ester
  • Propanoic acid, 2-methyl-, 3,7-dimethyl-2,6-octadienyl ester,
  • Propanoic acid, 2-methyl-, 3,7-dimethyl-2,6-octadienyl ester, trans-
  • Propionic acid, 2-methyl-, 3,7-dimethyl-2,6-octadienyl ester,
  • Propionic acid, 2-methyl-, 3,7-dimethyl-2,6-octadienyl ester, trans-
  • trans-3-7-Dimethyl-2,6-octadienyl isobutyrate
Sources

Physical Properties

Property Value Unit Source
Δf -26.02 kJ/mol Joback Calculated Property
Δfgas -367.51 kJ/mol Joback Calculated Property
Δfus 29.06 kJ/mol Joback Calculated Property
Δvap 55.60 kJ/mol Joback Calculated Property
logPoct/wat 3.88 Crippen Calculated Property
Pc 1744.82 kPa Joback Calculated Property
Tboil 603.65 K Joback Calculated Property
Tc 792.58 K Joback Calculated Property
Tfus 266.62 K Joback Calculated Property
Vc 0.80 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 527.51 J/mol×K 603.65 Joback Calculated Property
ΔvapH 67.80 kJ/mol 443.5 NIST

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-O- (nonring) 1
=C< 2
-CH2- 3
=CH- 2
-CH3 5
>C=O (nonring) 1

Similar Compounds

Neryl isobutanoate. Geranyl propionate. 2,6-Octadien-1-ol, 3,7-dimethyl-, propanoate, (Z)-. (2E,6E)-3,7,11-Trimethyldodeca-2,6,10-trienyl propionate. Neryl (S)-2-methylbutanoate. (Z)-3,7-dimethylocta-2,6-dienyl 2-methylbutyrate. Butanoic acid, 2-methyl-, 3,7-dimethyl-2,6-octadienyl ester, (E)-. Neryl butyrate. Butanoic acid, 3,7-dimethyl-2,6-octadienyl ester, (E)-. 2,6-Octadien-1-ol, 3,7-dimethyl-, acetate. 2,6-Octadien-1-ol, 3,7-dimethyl-, acetate, (Z)-. Geranyl acetate. Acetic acid, geranyl ester. Farnesyl butyrate. Farnesyl butanoate.

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