Chemical Properties of (Z)-3,7-Dimethylocta-2,6-dien-1-yl dodecanoate (CAS 72934-08-8)

(Z)-3,7-Dimethylocta-2,6-dien-1-yl dodecanoate

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InChI
InChI=1S/C22H40O2/c1-5-6-7-8-9-10-11-12-13-17-22(23)24-19-18-21(4)16-14-15-20(2)3/h15,18H,5-14,16-17,19H2,1-4H3/b21-18-
InChI Key
LNEUQAMNTXRCPI-UZYVYHOESA-N
Formula
C22H40O2
SMILES
CCCCCCCCCCCC(=O)OCC=C(C)CCC=C(C)C
Molecular Weight1
336.55
CAS
72934-08-8
Sources

Physical Properties

Property Value Unit Source
Δf 43.78 kJ/mol Joback Calculated Property
Δfgas -527.35 kJ/mol Joback Calculated Property
Δfus 53.31 kJ/mol Joback Calculated Property
Δvap 73.80 kJ/mol Joback Calculated Property
logPoct/wat 7.14 Crippen Calculated Property
Pc 995.13 kPa Joback Calculated Property
Tboil 787.13 K Joback Calculated Property
Tc 970.60 K Joback Calculated Property
Tfus 371.78 K Joback Calculated Property
Vc 1.25 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 981.68 J/mol×K 787.13 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
=C< 2
>C=O (nonring) 1
-CH2- 13
=CH- 2
-CH3 4

Similar Compounds

(E)-3,7-Dimethylocta-2,6-dien-1-yl icosanoate. Sebacic acid, digeranyl ester. (E)-3,7-Dimethylocta-2,6-dien-1-yl palmitate. (E)-3,7-Dimethylocta-2,6-dien-1-yl stearate. (E)-3,7-Dimethylocta-2,6-dien-1-yl tetradecanoate. Geranyl octanoate. (E)-3,7-Dimethylocta-2,6-dien-1-yl decanoate. (Z)-3,7-Dimethylocta-2,6-dien-1-yl palmitate. (E)-3,7-Dimethylocta-2,6-dien-1-yl dodecanoate. Geranyl heptanoate. Neryl heptanoate. Sebacic acid, geranyl propyl ester. (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. (Z,E)-Farnesyl caprate.

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