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

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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
ΔfG° -2343.28 kJ/mol Joback Calculated Property
ΔfH°gas -2686.76 kJ/mol Joback Calculated Property
ΔfusH° 34.00 kJ/mol Joback Calculated Property
ΔvapH° 47.76 kJ/mol Joback Calculated Property
log10WS -5.76 Crippen Calculated Property
logPoct/wat 4.440 Crippen Calculated Property
McVol 203.050 ml/mol McGowan Calculated Property
Pc 1483.85 kPa Joback Calculated Property
Inp 1455.00 NIST
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/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [566.73; 621.79] J/mol×K [623.99; 782.61] Show Hide
Cp,gas 566.73 J/mol×K 623.99 Joback Calculated Property
Cp,gas 577.43 J/mol×K 650.43 Joback Calculated Property
Cp,gas 587.49 J/mol×K 676.86 Joback Calculated Property
Cp,gas 596.93 J/mol×K 703.30 Joback Calculated Property
Cp,gas 605.78 J/mol×K 729.74 Joback Calculated Property
Cp,gas 614.06 J/mol×K 756.17 Joback Calculated Property
Cp,gas 621.79 J/mol×K 782.61 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. Hydroxy-N-methylcytisine. Vobassan-17-oic acid, 4-demethyl-3-oxo-, methyl ester. Tazettine. Tetrabenazine M (desmethyl-HO-), monoacetylated. risperidone. 1H-pyrazolo[3,4-d]pyrimidine, 4-(methylthio)-1-beta-d-ribofuranosyl-, 2',3',5'-tribenzoate. 2-Hydroxy-2-phenylethylamine, ferrocenylboronate. 3-Methoxy-2,4,5-trifluorobenzoic acid, heptyl 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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