Chemical Properties of Sebacic acid, dodec-9-ynyl pentyl ester

Sebacic acid, dodec-9-ynyl pentyl ester

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

InChI
InChI=1S/C27H48O4/c1-3-5-7-8-9-10-11-14-17-21-25-31-27(29)23-19-16-13-12-15-18-22-26(28)30-24-20-6-4-2/h3-4,6,8-25H2,1-2H3
InChI Key
OCHXVMKNWICFQG-UHFFFAOYSA-N
Formula
C27H48O4
SMILES
CCC#CCCCCCCCCOC(=O)CCCCCCCCC(=O)OCCCCC
Molecular Weight1
436.67
Sources

Physical Properties

Property Value Unit Source
Δf -88.58 kJ/mol Joback Calculated Property
Δfgas -817.91 kJ/mol Joback Calculated Property
Δfus 74.38 kJ/mol Joback Calculated Property
Δvap 96.16 kJ/mol Joback Calculated Property
logPoct/wat 7.53 Crippen Calculated Property
Pc 789.93 kPa Joback Calculated Property
Tboil 978.74 K Joback Calculated Property
Tc 1202.90 K Joback Calculated Property
Tfus 644.47 K Joback Calculated Property
Vc 1.56 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1354.57 J/mol×K 978.74 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 2
#C- 2
-CH2- 21
>C=O (nonring) 2
-CH3 2

Similar Compounds

Sebacic acid, dodec-9-ynyl heptyl ester. Sebacic acid, butyl dodec-9-ynyl ester. Sebacic acid, dodec-9-ynyl nonyl ester. Sebacic acid, dodec-9-ynyl propyl ester. Sebacic acid, dodec-9-ynyl hexyl ester. Sebacic acid, dodec-9-ynyl octyl ester. Sebacic acid, dodec-9-ynyl isohexyl ester. Undec-10-ynoic acid, heptadecyl ester. Undec-10-ynoic acid, pentadecyl ester. Undec-10-ynoic acid, octyl ester. Undec-10-ynoic acid, heptyl ester. Undec-10-ynoic acid, tetradecyl ester. Undec-10-ynoic acid, decyl ester. Undec-10-ynoic acid, undecyl ester. Undec-10-ynoic acid, octadecyl ester.

Find more compounds similar to Sebacic acid, dodec-9-ynyl pentyl 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.