Chemical Properties of Butanoic acid, 2-methyl-, 3,7-dimethyl-2,6-octadienyl ester, (E)- (CAS 68705-63-5)

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

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InChI
InChI=1S/C15H26O2/c1-6-14(5)15(16)17-11-10-13(4)9-7-8-12(2)3/h8,10,14H,6-7,9,11H2,1-5H3/b13-10+
InChI Key
PEQMAZJTEUEQJP-JLHYYAGUSA-N
Formula
C15H26O2
SMILES
CCC(C)C(=O)OCC=C(C)CCC=C(C)C
Molecular Weight1
238.37
CAS
68705-63-5
Other Names
  • (E)-3,7-dimethylocta-2,6-dienyl 2-methylbutyrate
  • (E)-Anyl 2-methylbutyrate
  • Geranyl 2-methylbutanoate
  • Geranyl 2-methylbutyrate
Sources

Physical Properties

Property Value Unit Source
Δf -17.60 kJ/mol Joback Calculated Property
Δfgas -388.15 kJ/mol Joback Calculated Property
Δfus 31.65 kJ/mol Joback Calculated Property
Δvap 57.83 kJ/mol Joback Calculated Property
logPoct/wat 4.27 Crippen Calculated Property
Pc 1612.88 kPa Joback Calculated Property
Tboil 626.53 K Joback Calculated Property
Tc 813.52 K Joback Calculated Property
Tfus 277.89 K Joback Calculated Property
Vc 0.86 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 580.04 J/mol×K 626.53 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

(Z)-3,7-dimethylocta-2,6-dienyl 2-methylbutyrate. Neryl (S)-2-methylbutanoate. Neryl butyrate. Butanoic acid, 3,7-dimethyl-2,6-octadienyl ester, (E)-. Neryl isobutanoate. Propanoic acid, 2-methyl-, 3,7-dimethyl-2,6-octadienyl ester, (E)-. Farnesyl butanoate. Farnesyl butyrate. Farnesyl butanoate. Neryl isovalerate. Geranyl isovalerate. (E)-3,7-Dimethylocta-2,6-dien-1-yl 3-methylbutanoate. Neryl valerate. Pentanoic acid, 3,7-dimethyl-2,6-octadienyl ester, (E)-. ( E, E)-farnesyl 3-methylbutanoate.

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