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

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Correlations

Property Value Unit Temperature (K) Source
Cp,gas [351.44; 668.65] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A5.71710e+01
Coefficient B1.31702e+00
Coefficient C-9.39840e-04
Coefficient D2.34300e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 351.44 J/mol×K 273.00 Calculated Property
Cp,gas 415.85 J/mol×K 353.78 Calculated Property
Cp,gas 471.24 J/mol×K 434.56 Calculated Property
Cp,gas 518.35 J/mol×K 515.33 Calculated Property
Cp,gas 557.92 J/mol×K 596.11 Calculated Property
Cp,gas 590.70 J/mol×K 676.89 Calculated Property
Cp,gas 617.42 J/mol×K 757.67 Calculated Property
Cp,gas 638.82 J/mol×K 838.44 Calculated Property
Cp,gas 655.65 J/mol×K 919.22 Calculated Property
Cp,gas 668.65 J/mol×K 1000.00 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. Hydroxy-N-methylcytisine. 1H-pyrazolo[3,4-d]pyrimidine, 4-(methylthio)-1-beta-d-ribofuranosyl-, 2',3',5'-tribenzoate. Tazettine. Tetrabenazine M (desmethyl-HO-), monoacetylated. 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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