Chemical Properties of 3-Phenylpropionic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester

3-Phenylpropionic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester

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

InChI
InChI=1S/C19H24O2/c1-15(2)10-12-18(14-16(3)4)21-19(20)13-11-17-8-6-5-7-9-17/h5-9,16,18H,1,11,13-14H2,2-4H3
InChI Key
NNQSPQLMDJEQMS-UHFFFAOYSA-N
Formula
C19H24O2
SMILES
C=C(C)C#CC(CC(C)C)OC(=O)CCc1ccccc1
Molecular Weight1
284.39
Sources

Physical Properties

Property Value Unit Source
Δf 264.80 kJ/mol Joback Calculated Property
Δfgas -66.38 kJ/mol Joback Calculated Property
Δfus 35.28 kJ/mol Joback Calculated Property
Δvap 70.11 kJ/mol Joback Calculated Property
logPoct/wat 4.16 Crippen Calculated Property
Pc 1676.91 kPa Joback Calculated Property
Tboil 741.77 K Joback Calculated Property
Tc 961.86 K Joback Calculated Property
Tfus 462.85 K Joback Calculated Property
Vc 0.95 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 697.19 J/mol×K 741.77 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 2
-O- (nonring) 1
-CH3 3
=CH- (ring) 5
=CH2 1
#C- 2
=C< (ring) 1
-CH2- 3
=C< 1
>C=O (nonring) 1

Similar Compounds

3-Phenylpropionic acid, 2-methyloct-5-yn-4-yl ester. 3-Phenylpropionic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. Butyric acid, 4-phenyl-, 2,7-dimethyloct-1-en-3-yn-5-yl ester. 3-Phenylpropionic acid, hex-4-yn-3-yl ester. Butyric acid, 4-phenyl-, 2-methyloct-5-yn-4-yl ester. Cyclopropanecarboxylic acid, trans-2-phenyl-, 2,7-dimethyloct-1-en-3-yn-5-yl ester. Phenylacetic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. Butanoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. Valeric acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. 4-Bromobutanoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. 2,2-Dimethylpropanoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. Glutaric acid, 2,7-dimethyloct-5-yn-7-en-4-yl propyl ester. Glutaric acid, butyl 2,7-dimethyloct-5-yn-7-en-4-yl ester. Glutaric acid, di(2,7-dimethyloct-5-yn-7-en-4-yl) ester. Hydratropic acid, 2,7-dimethyloct-1-en-3-yn-5-yl ester.

Find more compounds similar to 3-Phenylpropionic acid, 2,7-dimethyloct-7-en-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.