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

Sebacic acid, dodec-9-ynyl heptyl ester

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InChI
InChI=1S/C29H52O4/c1-3-5-7-9-10-11-12-15-19-23-27-33-29(31)25-21-17-14-13-16-20-24-28(30)32-26-22-18-8-6-4-2/h3-4,6,8-27H2,1-2H3
InChI Key
ZSEOPPCOQRIJIR-UHFFFAOYSA-N
Formula
C29H52O4
SMILES
CCC#CCCCCCCCCOC(=O)CCCCCCCCC(=O)OCCCCCCC
Molecular Weight1
464.72
Sources

Physical Properties

Property Value Unit Source
Δf -71.74 kJ/mol Joback Calculated Property
Δfgas -859.19 kJ/mol Joback Calculated Property
Δfus 79.56 kJ/mol Joback Calculated Property
Δvap 100.61 kJ/mol Joback Calculated Property
logPoct/wat 8.31 Crippen Calculated Property
Pc 711.11 kPa Joback Calculated Property
Tboil 1024.50 K Joback Calculated Property
Tc 1267.99 K Joback Calculated Property
Tfus 667.01 K Joback Calculated Property
Vc 1.67 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1483.15 J/mol×K 1024.5 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
#C- 2
-O- (nonring) 2
-CH2- 23
-CH3 2
>C=O (nonring) 2

Similar Compounds

Sebacic acid, butyl dodec-9-ynyl ester. Sebacic acid, dodec-9-ynyl pentyl 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.

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