Chemical Properties of 3-Methoxy-2,4,5-trifluorobenzoic acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester

3-Methoxy-2,4,5-trifluorobenzoic acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester

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

InChI
InChI=1S/C13H7F11O3/c1-26-8-6(15)4(2-5(14)7(8)16)9(25)27-3-11(19,20)13(23,24)12(21,22)10(17)18/h2,10H,3H2,1H3
InChI Key
PKWXUXRRKWCQNO-UHFFFAOYSA-N
Formula
C13H7F11O3
SMILES
COc1c(F)c(F)cc(C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F)c1F
Molecular Weight1
420.18
Sources

Physical Properties

Property Value Unit Source
Δf -2343.28 kJ/mol Joback Calculated Property
Δfgas -2686.76 kJ/mol Joback Calculated Property
Δfus 34.00 kJ/mol Joback Calculated Property
Δvap 47.76 kJ/mol Joback Calculated Property
logPoct/wat 4.440 Crippen Calculated Property
Pc 1483.85 kPa Joback Calculated Property
Tboil 623.99 K Joback Calculated Property
Tc 782.61 K Joback Calculated Property
Tfus 405.91 K Joback Calculated Property
Vc 0.857 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 566.73 J/mol×K 623.99 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-O- (nonring) 2
-F 11
=CH- (ring) 1
=C< (ring) 5
-CH2- 1
>C< 3
-CH3 1
>C=O (nonring) 1

Similar Compounds

3-Methoxy-2,4,5-trifluorobenzoic acid, hexadecyl ester. 3-Methoxy-2,4,5-trifluorobenzoic acid, decyl ester. 3-Methoxy-2,4,5-trifluorobenzoic acid, octadecyl ester. 3-Methoxy-2,4,5-trifluorobenzoic acid, nonadecyl ester. 3-Methoxy-2,4,5-trifluorobenzoic acid, dodecyl ester. 3-Methoxy-2,4,5-trifluorobenzoic acid, undecyl ester. 3-Methoxy-2,4,5-trifluorobenzoic acid, heptadecyl ester. 3-Methoxy-2,4,5-trifluorobenzoic acid, eicosyl ester. 2,4,5-Trifluoro-3-methoxybenzoic acid, cyclohexyl ester. 2,4,5-Trifluoro-3-methoxybenzoic acid, 2-pentyl ester. 3-Methoxy-2,4,5-trifluorobenzoic acid, 2-methylpentyl ester. 3-Methoxy-2,4,5-trifluorobenzoic acid, 3-methylbutyl ester. 3-Methoxy-2,4,5-trifluorobenzoic acid, 3-methylbutyl-2 ester. 2,4,5-Trifluoro-3-methoxybenzoic acid, neopentyl ester. Pentafluorobenzoic acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester.

Find more compounds similar to 3-Methoxy-2,4,5-trifluorobenzoic acid, 2,2,3,3,4,4,5,5-octafluoropentyl 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.