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

Butanoic acid, tridec-2-ynyl ester

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InChI
InChI=1S/C17H30O2/c1-3-5-6-7-8-9-10-11-12-13-14-16-19-17(18)15-4-2/h3-12,15-16H2,1-2H3
InChI Key
SLUOGOVTFIUZSK-UHFFFAOYSA-N
Formula
C17H30O2
SMILES
CCCCCCCCCCC#CCOC(=O)CCC
Molecular Weight1
266.42
Sources

Physical Properties

Property Value Unit Source
Δf 61.14 kJ/mol Joback Calculated Property
Δfgas -366.71 kJ/mol Joback Calculated Property
Δfus 45.70 kJ/mol Joback Calculated Property
Δvap 64.74 kJ/mol Joback Calculated Property
logPoct/wat 4.86 Crippen Calculated Property
Pc 1430.46 kPa Joback Calculated Property
Tboil 673.65 K Joback Calculated Property
Tc 854.51 K Joback Calculated Property
Tfus 459.61 K Joback Calculated Property
Vc 0.97 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 690.31 J/mol×K 673.65 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
#C- 2
-O- (nonring) 1
-CH2- 12
>C=O (nonring) 1
-CH3 2

Similar Compounds

Valeric acid, tridec-2-ynyl ester. 4-Bromobutanoic acid, tridec-2-ynyl ester. Hexanoic acid, tridec-2-ynyl ester. Sebacic acid, ethyl tridec-2-ynyl ester. Glutaric acid, ethyl tridec-2-ynyl ester. Octanoic acid, tridec-2-ynyl ester. Undec-10-ynoic acid, tridec-2-yn-1-yl ester. Glutaric acid, di(tridec-2-ynyl) ester. 5-Chlorovaleric acid, tridec-2-ynyl ester. Sebacic acid, propyl tridec-2-ynyl ester. Cyclopropanecarboxyllic acid, tridec-2-ynyl ester. Glutaric acid, propyl tridec-2-ynyl ester. 5-Bromovaleric acid, tridec-2-ynyl ester. Glutaric acid, butyl tridec-2-ynyl ester. Sebacic acid, butyl tridec-2-ynyl ester.

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