Chemical Properties of 2-Ethylbutyric acid, 2,3,4-trifluorophenyl ester

2-Ethylbutyric acid, 2,3,4-trifluorophenyl ester

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

InChI
InChI=1S/C12H13F3O2/c1-3-7(4-2)12(16)17-9-6-5-8(13)10(14)11(9)15/h5-7H,3-4H2,1-2H3
InChI Key
ISLHNHIINUYVSB-UHFFFAOYSA-N
Formula
C12H13F3O2
SMILES
CCC(CC)C(=O)Oc1ccc(F)c(F)c1F
Molecular Weight1
246.23
Sources

Physical Properties

Property Value Unit Source
Δf -687.11 kJ/mol Joback Calculated Property
Δfgas -927.30 kJ/mol Joback Calculated Property
Δfus 28.21 kJ/mol Joback Calculated Property
Δvap 52.89 kJ/mol Joback Calculated Property
logPoct/wat 3.45 Crippen Calculated Property
Pc 2133.46 kPa Joback Calculated Property
Tboil 589.24 K Joback Calculated Property
Tc 775.34 K Joback Calculated Property
Tfus 347.91 K Joback Calculated Property
Vc 0.67 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 417.92 J/mol×K 589.24 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

2-Ethylbutyric acid, pentafluorophenyl ester. Cyclohexanecarboxylic acid, pentafluorophenyl ester. Succinic acid, di(2,3,4-trifluorophenyl) ester. Isovaleric acid, pentafluorophenyl ester. 4-Bromobutyric acid, pentafluorophenyl ester. Sebacic acid, di(pentafluorophenyl) ester. Glutaric acid, dipentafluorophenyl ester. 4-Chlorobutyric acid, pentafluorophenyl ester. 6-Chlorohexanoic acid, pentafluorophenyl ester. 3-Cyclopentylpropionic acid, pentafluorophenyl ester. Glutaric acid, 8-chlorooctyl 2,3,4-trifluorophenyl ester. Sebacic acid, hexyl pentafluorophenyl ester. Sebacic acid, heptyl pentafluorophenyl ester. Sebacic acid, decyl pentafluorophenyl ester. Sebacic acid, butyl pentafluorophenyl ester.

Find more compounds similar to 2-Ethylbutyric acid, 2,3,4-trifluorophenyl 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.