Chemical Properties of Sebacic acid, geranyl heptyl ester

Sebacic acid, geranyl heptyl ester

Download as PDF file Download as Excel file Download as 2D mole file Predict properties

InChI
InChI=1S/C27H48O4/c1-5-6-7-12-15-22-30-26(28)19-13-10-8-9-11-14-20-27(29)31-23-21-25(4)18-16-17-24(2)3/h17,21H,5-16,18-20,22-23H2,1-4H3/b25-21+
InChI Key
FFZSNJLZBLBMPJ-NJNXFGOHSA-N
Formula
C27H48O4
SMILES
CCCCCCCOC(=O)CCCCCCCCC(=O)OCC=C(C)CCC=C(C)C
Molecular Weight1
436.67
Sources

Physical Properties

Property Value Unit Source
Δf -148.04 kJ/mol Joback Calculated Property
Δfgas -875.35 kJ/mol Joback Calculated Property
Δfus 69.04 kJ/mol Joback Calculated Property
Δvap 94.08 kJ/mol Joback Calculated Property
logPoct/wat 7.86 Crippen Calculated Property
Pc 769.89 kPa Joback Calculated Property
Tboil 977.82 K Joback Calculated Property
Tc 1201.42 K Joback Calculated Property
Tfus 500.29 K Joback Calculated Property
Vc 1.56 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1353.09 J/mol×K 977.82 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 2
=C< 2
>C=O (nonring) 2
-CH2- 17
=CH- 2
-CH3 4

Similar Compounds

Sebacic acid, geranyl hexyl ester. Sebacic acid, geranyl octyl ester. Sebacic acid, geranyl nonyl ester. Sebacic acid, decyl geranyl ester. Sebacic acid, geranyl undecyl 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 heptyl ester.

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.