Chemical Properties of Octanoic acid, tridec-2-ynyl ester

Octanoic acid, tridec-2-ynyl ester

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InChI
InChI=1S/C21H38O2/c1-3-5-7-9-10-11-12-13-14-16-18-20-23-21(22)19-17-15-8-6-4-2/h3-15,17,19-20H2,1-2H3
InChI Key
GHCSOROVZMLBDG-UHFFFAOYSA-N
Formula
C21H38O2
SMILES
CCCCCCCCCCC#CCOC(=O)CCCCCCC
Molecular Weight1
322.53
Sources

Physical Properties

Property Value Unit Source
Δf 94.82 kJ/mol Joback Calculated Property
Δfgas -449.27 kJ/mol Joback Calculated Property
Δfus 56.05 kJ/mol Joback Calculated Property
Δvap 73.65 kJ/mol Joback Calculated Property
logPoct/wat 6.42 Crippen Calculated Property
Pc 1090.66 kPa Joback Calculated Property
Tboil 765.17 K Joback Calculated Property
Tc 946.83 K Joback Calculated Property
Tfus 504.69 K Joback Calculated Property
Vc 1.20 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 923.14 J/mol×K 765.17 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
#C- 2
-O- (nonring) 1
-CH2- 16
>C=O (nonring) 1
-CH3 2

Similar Compounds

Undec-10-ynoic acid, tridec-2-yn-1-yl ester. Sebacic acid, ethyl tridec-2-ynyl ester. Sebacic acid, propyl tridec-2-ynyl ester. Hexanoic acid, tridec-2-ynyl ester. Sebacic acid, butyl tridec-2-ynyl ester. Sebacic acid, pentyl tridec-2-ynyl ester. Sebacic acid, octyl tridec-2-ynyl ester. Sebacic acid, hexyl tridec-2-ynyl ester. Sebacic acid, heptyl tridec-2-ynyl ester. Valeric acid, tridec-2-ynyl ester. Sebacic acid, isobutyl tridec-2-ynyl ester. Sebacic acid, isohexyl tridec-2-ynyl ester. 6-Bromohexanoic acid, tridec-2-ynyl ester. 3-Cyclopentylpropionic acid, tridec-2-ynyl ester. Glutaric acid, ethyl tridec-2-ynyl ester.

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