Chemical Properties of 3-Cyclopentylpropionic acid, tridec-2-ynyl ester

3-Cyclopentylpropionic acid, tridec-2-ynyl ester

Download as PDF file Download as Excel file Download as 2D mole file Predict properties

InChI
InChI=1S/C21H36O2/c1-2-3-4-5-6-7-8-9-10-11-14-19-23-21(22)18-17-20-15-12-13-16-20/h20H,2-10,12-13,15-19H2,1H3
InChI Key
NCWPOQRAVJVACR-UHFFFAOYSA-N
Formula
C21H36O2
SMILES
CCCCCCCCCCC#CCOC(=O)CCC1CCCC1
Molecular Weight1
320.51
Sources

Physical Properties

Property Value Unit Source
Δf 131.37 kJ/mol Joback Calculated Property
Δfgas -388.79 kJ/mol Joback Calculated Property
Δfus 49.99 kJ/mol Joback Calculated Property
Δvap 73.91 kJ/mol Joback Calculated Property
logPoct/wat 6.03 Crippen Calculated Property
Pc 1232.88 kPa Joback Calculated Property
Tboil 780.45 K Joback Calculated Property
Tc 975.87 K Joback Calculated Property
Tfus 515.59 K Joback Calculated Property
Vc 1.14 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 916.50 J/mol×K 780.45 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
>C=O (nonring) 1
#C- 2
-CH2- 12
-CH3 1
>CH- (ring) 1
-CH2- (ring) 4

Similar Compounds

Undec-10-ynoic acid, tridec-2-yn-1-yl ester. Octanoic acid, tridec-2-ynyl ester. Sebacic acid, ethyl tridec-2-ynyl ester. Sebacic acid, isohexyl 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, octyl tridec-2-ynyl ester. Sebacic acid, pentyl tridec-2-ynyl ester. Sebacic acid, heptyl tridec-2-ynyl ester. Sebacic acid, hexyl tridec-2-ynyl ester. Sebacic acid, isobutyl tridec-2-ynyl ester. Valeric acid, tridec-2-ynyl ester. 6-Bromohexanoic acid, tridec-2-ynyl ester. 3-Cyclopentylpropionic acid, dodec-9-ynyl ester.

Find more compounds similar to 3-Cyclopentylpropionic acid, tridec-2-ynyl ester.

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.