Chemical Properties of 3-Cyclopentylpropionic acid, but-3-yn-2-yl ester

3-Cyclopentylpropionic acid, but-3-yn-2-yl ester

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

InChI
InChI=1S/C12H18O2/c1-3-10(2)14-12(13)9-8-11-6-4-5-7-11/h1,10-11H,4-9H2,2H3
InChI Key
WEHCCFDMIBZMBC-UHFFFAOYSA-N
Formula
C12H18O2
SMILES
C#CC(C)OC(=O)CCC1CCCC1
Molecular Weight1
194.27
Sources

Physical Properties

Property Value Unit Source
Δf 73.42 kJ/mol Joback Calculated Property
Δfgas -188.71 kJ/mol Joback Calculated Property
Δfus 23.01 kJ/mol Joback Calculated Property
Δvap 51.19 kJ/mol Joback Calculated Property
logPoct/wat 2.52 Crippen Calculated Property
Pc 2530.27 kPa Joback Calculated Property
Tboil 555.21 K Joback Calculated Property
Tc 765.49 K Joback Calculated Property
Tfus 340.03 K Joback Calculated Property
Vc 0.63 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 413.64 J/mol×K 555.21 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Sebacic acid, di(but-3-yn-2-yl) ester. Octanoic acid, but-3-yn-2-yl ester. Sebacic acid, but-3-yn-2-yl isohexyl ester. Sebacic acid, but-3-yn-2-yl propyl ester. Undec-10-ynoic acid, but-3-yn-2-yl ester. Sebacic acid, butyl but-3-yn-2-yl ester. Hexanoic acid, but-3-yn-2-yl ester. Sebacic acid, but-3-yn-2-yl heptyl ester. Sebacic acid, but-3-yn-2-yl hexyl ester. Sebacic acid, but-3-yn-2-yl decyl ester. Sebacic acid, but-3-yn-2-yl pentyl ester. Sebacic acid, but-3-yn-2-yl nonyl ester. Sebacic acid, but-3-yn-2-yl octyl ester. 3-Cyclopentylpropionic acid, hex-4-yn-3-yl ester. Sebacic acid, but-3-yn-2-yl isobutyl ester.

Find more compounds similar to 3-Cyclopentylpropionic acid, but-3-yn-2-yl 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.