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

Sebacic acid, dodec-9-ynyl nonyl ester

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InChI
InChI=1S/C31H56O4/c1-3-5-7-9-11-12-13-17-21-25-29-35-31(33)27-23-19-15-14-18-22-26-30(32)34-28-24-20-16-10-8-6-4-2/h3-4,6,8-29H2,1-2H3
InChI Key
IBLXXXAFXKVHCX-UHFFFAOYSA-N
Formula
C31H56O4
SMILES
CCC#CCCCCCCCCOC(=O)CCCCCCCCC(=O)OCCCCCCCCC
Molecular Weight1
492.77
Sources

Physical Properties

Property Value Unit Source
Δf -54.90 kJ/mol Joback Calculated Property
Δfgas -900.47 kJ/mol Joback Calculated Property
Δfus 84.74 kJ/mol Joback Calculated Property
Δvap 105.06 kJ/mol Joback Calculated Property
logPoct/wat 9.09 Crippen Calculated Property
Pc 643.53 kPa Joback Calculated Property
Tboil 1070.26 K Joback Calculated Property
Tc 1338.77 K Joback Calculated Property
Tfus 689.55 K Joback Calculated Property
Vc 1.78 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1612.93 J/mol×K 1070.26 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
#C- 2
-O- (nonring) 2
-CH2- 25
>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 pentyl 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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