Chemical Properties of Flufenamic acid, hydroxy, bis-methylated

Flufenamic acid, hydroxy, bis-methylated

InChI
InChI=1S/C16H14F3NO3/c1-22-14-8-7-10(9-12(14)16(17,18)19)20-13-6-4-3-5-11(13)15(21)23-2/h3-9,20H,1-2H3
InChI Key
QIDVKLRSNSCINA-UHFFFAOYSA-N
Formula
C16H14F3NO3
SMILES
COC(=O)c1ccccc1Nc1ccc(OC)c(C(F)(F)F)c1
Molecular Weight1
325.28
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Physical Properties

Property Value Unit Source
ΔfH°gas -980.00 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 36.59 kJ/mol Joback Calculated Property
ΔvapH° 94.74 kJ/mol Relay (1.0) Calculated Property
IE 7.50 eV Relay (1.0) Calculated Property
log10WS -4.94 Relay (1.0) Calculated Property
logPoct/wat 4.244 Crippen Calculated Property
McVol 217.380 ml/mol McGowan Calculated Property
Pc 1971.80 kPa Joback Calculated Property
Inp 2115.00 NIST
Tboil 649.61 K Relay (1.0) Calculated Property
Tfus 368.50 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [309.10; 684.79] 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 A6.93000e+00
Coefficient B1.30694e+00
Coefficient C-7.71880e-04
Coefficient D1.42800e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 309.10 J/mol×K 273.00 Calculated Property
Cp,gas 379.01 J/mol×K 353.78 Calculated Property
Cp,gas 440.83 J/mol×K 434.56 Calculated Property
Cp,gas 495.00 J/mol×K 515.33 Calculated Property
Cp,gas 541.97 J/mol×K 596.11 Calculated Property
Cp,gas 582.21 J/mol×K 676.89 Calculated Property
Cp,gas 616.16 J/mol×K 757.67 Calculated Property
Cp,gas 644.27 J/mol×K 838.44 Calculated Property
Cp,gas 667.00 J/mol×K 919.22 Calculated Property
Cp,gas 684.79 J/mol×K 1000.00 Calculated Property

Similar Compounds

Flufenamic acid, methyl ester. Mefenamic acid, hydroxy, bis-methylated. Niflumic acid, hydroxy, bis-methylated. .delta.1-tetrahydrocannabinolic acid, phenyl-boronate. 2(1H)-Pyrimidinone, 1-[2,3-bis-O-(trimethylsilyl)-«beta»-D-ribofuranosyl]-4-(trimethylsiloxy)-, 5'-[bis(trimethylsilyl) phosphate]. Cytosine arabinoside, dimethyl-propyldimethylsilyl derivative. 12-O-Methylcarnosol. Cytosine arabinoside, methyl-TMS derivative. Carteolol, PFB-TMS. N-Acetyl-D-glucosamine, tetrakis(trimethylsilyl) ether (isomer 2). Silane, [(6a,7,10,10a-tetrahydro-6,6,9-trimethyl-3-pentyl-6H-dibenzo[b,d]pyran-1,7-diyl)bis(oxy)]bis[trimethyl-, [6aR-(6a«alpha»,7«alpha»,10a«beta»)]-. N-Acetyl-D-glucosamine, tetrakis(trimethylsilyl) ether (isomer 1). RTI 23. cis-Phenanthrene, 9,10-dihydro-9-methyl-9,10-diol, 3,4-dimethoxy, butylboronate. Apazone.

Find more compounds similar to Flufenamic acid, hydroxy, bis-methylated.

Sources

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