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

Sebacic acid, dodec-9-ynyl propyl ester

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InChI
InChI=1S/C25H44O4/c1-3-5-6-7-8-9-10-13-16-19-23-29-25(27)21-18-15-12-11-14-17-20-24(26)28-22-4-2/h3-4,7-23H2,1-2H3
InChI Key
OYSYFZHSLNGETC-UHFFFAOYSA-N
Formula
C25H44O4
SMILES
CCC#CCCCCCCCCOC(=O)CCCCCCCCC(=O)OCCC
Molecular Weight1
408.61
Sources

Physical Properties

Property Value Unit Source
Δf -105.42 kJ/mol Joback Calculated Property
Δfgas -776.63 kJ/mol Joback Calculated Property
Δfus 69.20 kJ/mol Joback Calculated Property
Δvap 91.71 kJ/mol Joback Calculated Property
logPoct/wat 6.75 Crippen Calculated Property
Pc 882.62 kPa Joback Calculated Property
Tboil 932.98 K Joback Calculated Property
Tc 1142.70 K Joback Calculated Property
Tfus 621.93 K Joback Calculated Property
Vc 1.45 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1227.56 J/mol×K 932.98 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
#C- 2
-O- (nonring) 2
-CH2- 19
>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 nonyl 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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