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

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
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Physical Properties

Property Value Unit Source
ΔfusH° 35.58 kJ/mol Joback Calculated Property
logPoct/wat 4.440 Crippen Calculated Property
McVol 203.050 ml/mol McGowan Calculated Property
Inp 1455.00 NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [562.34; 618.70] J/mol×K [606.12; 762.03] Show Hide
Cp,gas 562.34 J/mol×K 606.12 Joback Calculated Property
Cp,gas 573.32 J/mol×K 632.10 Joback Calculated Property
Cp,gas 583.64 J/mol×K 658.09 Joback Calculated Property
Cp,gas 593.31 J/mol×K 684.07 Joback Calculated Property
Cp,gas 602.36 J/mol×K 710.06 Joback Calculated Property
Cp,gas 610.82 J/mol×K 736.04 Joback Calculated Property
Cp,gas 618.70 J/mol×K 762.03 Joback Calculated Property

Similar Compounds

2,4-Difluorobenzoic acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester. 3-Methoxy-2,4,5-trifluorobenzoic acid, 8-chlorooctyl ester. 2-Fluorobenzoic acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester. 3-Chloro-2-fluorobenzoic acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester. 3-Methoxy-2,4,5-trifluorobenzoic acid, pentyl ester. Benz[a]acridine, 5,7-dimethyl. 3-Fluoro-4-trifluoromethylbenzoic acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester. Cialis. cefuroxime acid. 1H-pyrazolo[3,4-d]pyrimidine, 4-(methylthio)-1-beta-d-ribofuranosyl-, 2',3',5'-tribenzoate. Tazettine. Tetrabenazine M (desmethyl-HO-), monoacetylated. Hydroxy-N-methylcytisine. risperidone. Vobassan-17-oic acid, 4-demethyl-3-oxo-, methyl ester.

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

Sources

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