Chemical Properties of (Z,Z)-Farnesyl caproate

(Z,Z)-Farnesyl caproate

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InChI
InChI=1S/C21H36O2/c1-6-7-8-15-21(22)23-17-16-20(5)14-10-13-19(4)12-9-11-18(2)3/h11,13,16H,6-10,12,14-15,17H2,1-5H3/b19-13-,20-16-
InChI Key
RLRVQTPROCYANT-IFADVNSMSA-N
Formula
C21H36O2
SMILES
CCCCCC(=O)OCC=C(C)CCC=C(C)CCC=C(C)C
Molecular Weight1
320.51
Sources

Physical Properties

Property Value Unit Source
Δf 107.03 kJ/mol Joback Calculated Property
Δfgas -399.28 kJ/mol Joback Calculated Property
Δfus 49.61 kJ/mol Joback Calculated Property
Δvap 71.61 kJ/mol Joback Calculated Property
logPoct/wat 6.53 Crippen Calculated Property
Pc 1098.62 kPa Joback Calculated Property
Tboil 768.29 K Joback Calculated Property
Tc 955.62 K Joback Calculated Property
Tfus 341.47 K Joback Calculated Property
Vc 1.18 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 896.62 J/mol×K 768.29 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
=C< 3
>C=O (nonring) 1
-CH2- 9
=CH- 3
-CH3 5

Similar Compounds

(E,Z)-Farnesyl caproate. Farnesyl hexanoate, (E,E)-. (Z,E)-Farnesyl caproate. Hexanoic acid, 3,7-dimethyl-2,6-octadienyl ester, (E)-. Neryl hexanoate. (Z,E)-Farnesyl laurate. (2E,6E)-3,7,11-Trimethyldodeca-2,6,10-trien-1-yl dodecanoate. (2E,6E)-3,7,11-Trimethyldodeca-2,6,10-trien-1-yl stearate. 3,7,11-trimethyldodeca-2,6,10-trien-1-yl palmitate. (Z,E)-Farnesyl caprate. (2E,6E)-3,7,11-Trimethyldodeca-2,6,10-trien-1-yl decanoate. (Z,Z)-Farnesyl laurate. (E,Z)-Farnesyl laurate. (Z,Z)-Farnesyl caprylate. (E,Z)-Farnesyl caprate.

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