Chemical Properties of (E)-3,7-Dimethylocta-2,6-dien-1-yl stearate (CAS 28219-83-2)

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

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

InChI
InChI=1S/C28H52O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-28(29)30-25-24-27(4)22-20-21-26(2)3/h21,24H,5-20,22-23,25H2,1-4H3/b27-24+
InChI Key
ILBHDXCOZDEXGP-SOYKGTTHSA-N
Formula
C28H52O2
SMILES
CCCCCCCCCCCCCCCCCC(=O)OCC=C(C)CCC=C(C)C
Molecular Weight1
420.71
CAS
28219-83-2
Sources

Physical Properties

Property Value Unit Source
Δf 94.30 kJ/mol Joback Calculated Property
Δfgas -651.19 kJ/mol Joback Calculated Property
Δfus 68.85 kJ/mol Joback Calculated Property
Δvap 87.15 kJ/mol Joback Calculated Property
logPoct/wat 9.484 Crippen Calculated Property
Pc 712.63 kPa Joback Calculated Property
Tboil 924.41 K Joback Calculated Property
Tc 1133.64 K Joback Calculated Property
Tfus 439.40 K Joback Calculated Property
Vc 1.589 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1361.61 J/mol×K 924.41 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
=C< 2
>C=O (nonring) 1
-CH2- 19
=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 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.

Find more compounds similar to (E)-3,7-Dimethylocta-2,6-dien-1-yl stearate.

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.