Chemical Properties of Butanoic acid, 3,7-dimethyl-2,6-octadienyl ester, (E)- (CAS 106-29-6)

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

Download as PDF file Download as Excel file Download as 2D mole file Predict properties

InChI
InChI=1S/C14H24O2/c1-5-7-14(15)16-11-10-13(4)9-6-8-12(2)3/h8,10H,5-7,9,11H2,1-4H3/b13-10+
InChI Key
ZSBOMYJPSRFZAL-JLHYYAGUSA-N
Formula
C14H24O
SMILES
CCCC(=O)OCC=C(C)CCC=C(C)C
Molecular Weight1
208.34
CAS
106-29-6
Other Names
  • Butyric acid, 3,7-dimethyl-2,6-octadienyl ester, (E)-
  • Geraniol butyrate
  • Geranyl butanoate
  • Geranyl butyrate
  • Geranyl n-butyrate
  • n-Butyric acid, geranyl ester
Sources

Physical Properties

Property Value Unit Source
Δf -23.58 kJ/mol Joback Calculated Property
Δfgas -362.23 kJ/mol Joback Calculated Property
Δfus 32.59 kJ/mol Joback Calculated Property
Δvap 55.99 kJ/mol Joback Calculated Property
logPoct/wat 4.02 Crippen Calculated Property
Pc 1733.22 kPa Joback Calculated Property
Tboil 604.09 K Joback Calculated Property
Tc 789.66 K Joback Calculated Property
Tfus 281.62 K Joback Calculated Property
Vc 0.81 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 527.13 J/mol×K 604.09 Joback Calculated Property
ΔvapH 68.60 kJ/mol 450.0 NIST

Molecular Descriptors

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

Similar Compounds

Neryl butyrate. Farnesyl butanoate. Farnesyl butanoate. Farnesyl butyrate. Neryl valerate. Pentanoic acid, 3,7-dimethyl-2,6-octadienyl ester, (E)-. Geranyl isovalerate. Neryl isovalerate. (E)-3,7-Dimethylocta-2,6-dien-1-yl 3-methylbutanoate. (2E,6E)-Farnesyl pentanoate. Geranyl propionate. 2,6-Octadien-1-ol, 3,7-dimethyl-, propanoate, (Z)-. ( E, E)-farnesyl 3-methylbutanoate. Neryl hexanoate. Hexanoic acid, 3,7-dimethyl-2,6-octadienyl ester, (E)-.

Find more compounds similar to Butanoic acid, 3,7-dimethyl-2,6-octadienyl ester, (E)-.

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.