Chemical Properties of (E)-3,7-Dimethylocta-2,6-dien-1-yl icosanoate (CAS 467252-74-0)

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

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InChI
InChI=1S/C30H56O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-30(31)32-27-26-29(4)24-22-23-28(2)3/h23,26H,5-22,24-25,27H2,1-4H3/b29-26+
InChI Key
BEDGRFXPXOLZFD-PBBVDAKRSA-N
Formula
C30H56O2
SMILES
CCCCCCCCCCCCCCCCCCCC(=O)OCC=C(C)CCC=C(C)C
Molecular Weight1
448.76
CAS
467252-74-0
Sources

Physical Properties

Property Value Unit Source
Δf 111.14 kJ/mol Joback Calculated Property
Δfgas -692.47 kJ/mol Joback Calculated Property
Δfus 74.03 kJ/mol Joback Calculated Property
Δvap 91.61 kJ/mol Joback Calculated Property
logPoct/wat 10.26 Crippen Calculated Property
Pc 644.83 kPa Joback Calculated Property
Tboil 970.17 K Joback Calculated Property
Tc 1195.95 K Joback Calculated Property
Tfus 461.94 K Joback Calculated Property
Vc 1.70 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1493.25 J/mol×K 970.17 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
=C< 2
>C=O (nonring) 1
-CH2- 21
=CH- 2
-CH3 4

Similar Compounds

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. (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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