Chemical Properties of Sebacic acid, geranyl propyl ester

Sebacic acid, geranyl propyl ester

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InChI
InChI=1S/C23H40O4/c1-5-18-26-22(24)15-10-8-6-7-9-11-16-23(25)27-19-17-21(4)14-12-13-20(2)3/h13,17H,5-12,14-16,18-19H2,1-4H3/b21-17+
InChI Key
NHDOBNIBFGIIHE-HEHNFIMWSA-N
Formula
C23H40O4
SMILES
CCCOC(=O)CCCCCCCCC(=O)OCC=C(C)CCC=C(C)C
Molecular Weight1
380.56
Sources

Physical Properties

Property Value Unit Source
Δf -181.72 kJ/mol Joback Calculated Property
Δfgas -792.79 kJ/mol Joback Calculated Property
Δfus 58.68 kJ/mol Joback Calculated Property
Δvap 85.18 kJ/mol Joback Calculated Property
logPoct/wat 6.30 Crippen Calculated Property
Pc 964.47 kPa Joback Calculated Property
Tboil 886.30 K Joback Calculated Property
Tc 1085.70 K Joback Calculated Property
Tfus 455.21 K Joback Calculated Property
Vc 1.33 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1100.28 J/mol×K 886.3 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

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

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