Chemical Properties of (E)-3,7-Dimethylocta-2,6-dien-1-yl decanoate (CAS 10471-94-0)

(E)-3,7-Dimethylocta-2,6-dien-1-yl decanoate

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InChI
InChI=1S/C20H36O2/c1-5-6-7-8-9-10-11-15-20(21)22-17-16-19(4)14-12-13-18(2)3/h13,16H,5-12,14-15,17H2,1-4H3/b19-16+
InChI Key
ICAWXCQTUNYABR-KNTRCKAVSA-N
Formula
C20H36O2
SMILES
CCCCCCCCCC(=O)OCC=C(C)CCC=C(C)C
Molecular Weight1
308.50
CAS
10471-94-0
Sources

Physical Properties

Property Value Unit Source
Δf 26.94 kJ/mol Joback Calculated Property
Δfgas -486.07 kJ/mol Joback Calculated Property
Δfus 48.13 kJ/mol Joback Calculated Property
Δvap 69.35 kJ/mol Joback Calculated Property
logPoct/wat 6.36 Crippen Calculated Property
Pc 1127.59 kPa Joback Calculated Property
Tboil 741.37 K Joback Calculated Property
Tc 922.37 K Joback Calculated Property
Tfus 349.24 K Joback Calculated Property
Vc 1.14 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 861.42 J/mol×K 741.37 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
=C< 2
>C=O (nonring) 1
-CH2- 11
=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. (Z)-3,7-Dimethylocta-2,6-dien-1-yl dodecanoate. Geranyl octanoate. (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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