Chemical Properties of Farnesyl butyrate

Farnesyl butyrate

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InChI
InChI=1S/C19H32O2/c1-6-9-19(20)21-15-14-18(5)13-8-12-17(4)11-7-10-16(2)3/h10,12,14H,6-9,11,13,15H2,1-5H3/b17-12+,18-14+
InChI Key
GPNSLSVRBMEOCK-NXGXIAAHSA-N
Formula
C19H32O2
SMILES
CCCC(=O)OCC=C(C)CCC=C(C)CCC=C(C)C
Molecular Weight1
292.46
Other Names
  • Farnesyl butanoate, (E,E)-
Sources

Physical Properties

Property Value Unit Source
Δf 90.19 kJ/mol Joback Calculated Property
Δfgas -358.00 kJ/mol Joback Calculated Property
Δfus 44.43 kJ/mol Joback Calculated Property
Δvap 67.16 kJ/mol Joback Calculated Property
logPoct/wat 5.75 Crippen Calculated Property
Pc 1253.03 kPa Joback Calculated Property
Tboil 722.53 K Joback Calculated Property
Tc 910.02 K Joback Calculated Property
Tfus 318.93 K Joback Calculated Property
Vc 1.07 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 779.43 J/mol×K 722.53 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
=C< 3
>C=O (nonring) 1
-CH2- 7
=CH- 3
-CH3 5

Similar Compounds

Farnesyl butanoate. Farnesyl butanoate. Butanoic acid, 3,7-dimethyl-2,6-octadienyl ester, (E)-. Neryl butyrate. (2E,6E)-Farnesyl pentanoate. ( E, E)-farnesyl 3-methylbutanoate. Pentanoic acid, 3,7-dimethyl-2,6-octadienyl ester, (E)-. Neryl valerate. (2E,6E)-3,7,11-Trimethyldodeca-2,6,10-trienyl propionate. Neryl isovalerate. (E)-3,7-Dimethylocta-2,6-dien-1-yl 3-methylbutanoate. Geranyl isovalerate. (E,Z)-Farnesyl caproate. (Z,E)-Farnesyl caproate. (Z,Z)-Farnesyl caproate.

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