Chemical Properties of Sebacic acid, geranyl octyl ester

Sebacic acid, geranyl octyl ester

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InChI
InChI=1S/C28H50O4/c1-5-6-7-8-13-16-23-31-27(29)20-14-11-9-10-12-15-21-28(30)32-24-22-26(4)19-17-18-25(2)3/h18,22H,5-17,19-21,23-24H2,1-4H3/b26-22+
InChI Key
JSJWROOUELPWER-XTCLZLMSSA-N
Formula
C28H50O4
SMILES
CCCCCCCCOC(=O)CCCCCCCCC(=O)OCC=C(C)CCC=C(C)C
Molecular Weight1
450.69
Sources

Physical Properties

Property Value Unit Source
Δf -139.62 kJ/mol Joback Calculated Property
Δfgas -895.99 kJ/mol Joback Calculated Property
Δfus 71.63 kJ/mol Joback Calculated Property
Δvap 96.31 kJ/mol Joback Calculated Property
logPoct/wat 8.25 Crippen Calculated Property
Pc 730.46 kPa Joback Calculated Property
Tboil 1000.70 K Joback Calculated Property
Tc 1233.16 K Joback Calculated Property
Tfus 511.56 K Joback Calculated Property
Vc 1.61 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1417.61 J/mol×K 1000.7 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 2
=C< 2
>C=O (nonring) 2
-CH2- 18
=CH- 2
-CH3 4

Similar Compounds

Sebacic acid, geranyl hexyl ester. Sebacic acid, geranyl nonyl ester. Sebacic acid, decyl geranyl ester. Sebacic acid, geranyl undecyl ester. Sebacic acid, geranyl heptyl ester. Sebacic acid, geranyl pentyl ester. Sebacic acid, butyl geranyl ester. Sebacic acid, geranyl propyl ester. Sebacic acid, geranyl isohexyl ester. (E)-3,7-Dimethylocta-2,6-dien-1-yl stearate. (E)-3,7-Dimethylocta-2,6-dien-1-yl icosanoate. (Z)-3,7-Dimethylocta-2,6-dien-1-yl palmitate. (Z)-3,7-Dimethylocta-2,6-dien-1-yl dodecanoate. (E)-3,7-Dimethylocta-2,6-dien-1-yl dodecanoate. (E)-3,7-Dimethylocta-2,6-dien-1-yl decanoate.

Find more compounds similar to Sebacic acid, geranyl octyl ester.

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