Chemical Properties of 3-Cyclopentylpropionic acid, 2-methyloct-5-yn-4-yl ester

3-Cyclopentylpropionic acid, 2-methyloct-5-yn-4-yl ester

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

InChI
InChI=1S/C17H28O2/c1-4-5-10-16(13-14(2)3)19-17(18)12-11-15-8-6-7-9-15/h14-16H,4,6-9,11-13H2,1-3H3
InChI Key
AJIYNFIZBQJLGY-UHFFFAOYSA-N
Formula
C17H28O2
SMILES
CCC#CC(CC(C)C)OC(=O)CCC1CCCC1
Molecular Weight1
264.40
Sources

Physical Properties

Property Value Unit Source
Δf 92.81 kJ/mol Joback Calculated Property
Δfgas -316.79 kJ/mol Joback Calculated Property
Δfus 32.58 kJ/mol Joback Calculated Property
Δvap 64.23 kJ/mol Joback Calculated Property
logPoct/wat 4.33 Crippen Calculated Property
Pc 1668.70 kPa Joback Calculated Property
Tboil 688.05 K Joback Calculated Property
Tc 895.84 K Joback Calculated Property
Tfus 440.51 K Joback Calculated Property
Vc 0.90 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 683.06 J/mol×K 688.05 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
>CH- 2
-CH3 3
#C- 2
-CH2- 4
>C=O (nonring) 1
>CH- (ring) 1
-CH2- (ring) 4

Similar Compounds

Sebacic acid, butyl 2-methyloct-5-yn-4-yl ester. Sebacic acid, 2-methyloct-5-yn-4-yl propyl ester. Octanoic acid, 2-methyloct-5-yn-4-yl ester. Sebacic acid, 2-methyloct-5-yn-4-yl octyl ester. Sebacic acid, heptyl 2-methyloct-5-yn-4-yl ester. Sebacic acid, 2-methyloct-5-yn-4-yl nonyl ester. Sebacic acid, 2-methyloct-5-yn-4-yl undecyl ester. Sebacic acid, 2-methyloct-5-yn-4-yl pentyl ester. Undec-10-ynoic acid, 2-methyloct-5-yn-4-yl ester. Sebacic acid, isobutyl 2-methyloct-5-yn-4-yl ester. Hexanoic acid, 2-methyloct-5-yn-4-yl ester. Valeric acid, 2-methyloct-5-yn-4-yl ester. 6-Bromohexanoic acid, 2-methyloct-5-yn-4-yl ester. Glutaric acid, 2-methyloct-5-yn-4-yl tridecyl ester. Glutaric acid, dodecyl 2-methyloct-5-yn-4-yl ester.

Find more compounds similar to 3-Cyclopentylpropionic acid, 2-methyloct-5-yn-4-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.