Chemical Properties of 3-Methylcatechol, bis(pentafluoropropionate)

3-Methylcatechol, bis(pentafluoropropionate)

InChI
InChI=1S/C13H6F10O4/c1-5-3-2-4-6(26-8(24)10(14,15)12(18,19)20)7(5)27-9(25)11(16,17)13(21,22)23/h2-4H,1H3
InChI Key
NQEXJEJPUBACAF-UHFFFAOYSA-N
Formula
C13H6F10O4
SMILES
Cc1cccc(OC(=O)C(F)(F)C(F)(F)F)c1OC(=O)C(F)(F)C(F)(F)F
Molecular Weight1
416.17
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Physical Properties

Property Value Unit Source
ΔfusH° 32.57 kJ/mol Joback Calculated Property
logPoct/wat 4.201 Crippen Calculated Property
McVol 202.850 ml/mol McGowan Calculated Property
Inp [1119.00; 1119.00]   Show Hide
Inp 1119.00 NIST
Inp 1119.00 NIST

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Correlations

Property Value Unit Temperature (K) Source
Cp,gas [337.93; 658.20] 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 A-4.00000e-01
Coefficient B1.55252e+00
Coefficient C-1.24252e-03
Coefficient D3.48600e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 337.93 J/mol×K 273.00 Calculated Property
Cp,gas 408.77 J/mol×K 353.78 Calculated Property
Cp,gas 468.23 J/mol×K 434.56 Calculated Property
Cp,gas 517.40 J/mol×K 515.33 Calculated Property
Cp,gas 557.39 J/mol×K 596.11 Calculated Property
Cp,gas 589.30 J/mol×K 676.89 Calculated Property
Cp,gas 614.24 J/mol×K 757.67 Calculated Property
Cp,gas 633.29 J/mol×K 838.44 Calculated Property
Cp,gas 647.58 J/mol×K 919.22 Calculated Property
Cp,gas 658.20 J/mol×K 1000.00 Calculated Property

Similar Compounds

3-Methylcatechol, bis(heptafluorobutyrate). 2,3-Dihydroxytoluene, trifluoroacetate. 3-Methylcatechol, diacetate. 2-Hydroxy-3-methoxybenzaldehyde, pentafluoropropionate. 2-Methylresorcinol, bis(pentafluoropropionate). 2-Hydroxy-3-methoxybenzaldehyde, heptafluorobutyrate. 2-Methylresorcinol, bis(heptafluorobutyrate). Heptafluorobutyric acid, 3-methyl ester. 3-Hydroxy-4-methoxybenzyl alcohol, di(pentafluoropropionate). 2-Hydroxy-3-methoxybenzaldehyde, trifluoroacetate. 3-Ethylphenol, O-pentafluoropropionyl-. Pentadecafluorooctanoic acid, 3-methylphenyl ester. 4-Hydroxy-3-methoxybenzyl alcohol, bis(pentafluoropropionate). Vanillin, pentafluoropropionate. 2,5-Dimethylphenol trifluoroacetate.

Find more compounds similar to 3-Methylcatechol, bis(pentafluoropropionate).

Sources

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