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

Valeric acid, tridec-2-ynyl ester

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InChI
InChI=1S/C18H32O2/c1-3-5-7-8-9-10-11-12-13-14-15-17-20-18(19)16-6-4-2/h3-13,16-17H2,1-2H3
InChI Key
ZQZHZXGGYFSZHR-UHFFFAOYSA-N
Formula
C18H32O2
SMILES
CCCCCCCCCCC#CCOC(=O)CCCC
Molecular Weight1
280.45
Sources

Physical Properties

Property Value Unit Source
Δf 69.56 kJ/mol Joback Calculated Property
Δfgas -387.35 kJ/mol Joback Calculated Property
Δfus 48.29 kJ/mol Joback Calculated Property
Δvap 66.97 kJ/mol Joback Calculated Property
logPoct/wat 5.25 Crippen Calculated Property
Pc 1331.98 kPa Joback Calculated Property
Tboil 696.53 K Joback Calculated Property
Tc 876.84 K Joback Calculated Property
Tfus 470.88 K Joback Calculated Property
Vc 1.03 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 746.85 J/mol×K 696.53 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
#C- 2
-O- (nonring) 1
-CH2- 13
>C=O (nonring) 1
-CH3 2

Similar Compounds

Hexanoic acid, tridec-2-ynyl ester. Undec-10-ynoic acid, tridec-2-yn-1-yl ester. Octanoic acid, tridec-2-ynyl ester. Sebacic acid, ethyl tridec-2-ynyl ester. Glutaric acid, ethyl tridec-2-ynyl ester. Glutaric acid, di(tridec-2-ynyl) ester. 5-Chlorovaleric acid, tridec-2-ynyl ester. Butanoic acid, tridec-2-ynyl ester. Sebacic acid, propyl tridec-2-ynyl ester. 5-Bromovaleric acid, tridec-2-ynyl ester. Glutaric acid, propyl tridec-2-ynyl ester. Sebacic acid, butyl tridec-2-ynyl ester. Glutaric acid, butyl tridec-2-ynyl ester. Sebacic acid, hexyl tridec-2-ynyl ester. Glutaric acid, pentyl tridec-2-ynyl ester.

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