Chemical Properties of Sulindac methyl derivative

InChI

InChI=1S/C21H19FO3S/c1-13-18(10-14-4-7-16(8-5-14)26(3)24)17-9-6-15(22)11-20(17)19(13)12-21(23)25-2/h4-11H,12H2,1-3H3/b18-10-

InChI Key

QQHHBCZJIQNNSG-ZDLGFXPLSA-N

Formula

C21H19FO3S

SMILES

COC(=O)CC1=C(C)C(=Cc2ccc(S(C)=O)cc2)c2ccc(F)cc21

Molecular Weight¹

370.44

Other Names

• Sulindac methyl ester
• Sulindac, methylated

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, 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 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	[367.14; 821.37]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			8.10100e+00
Coefficient B			1.55845e+00
Coefficient C			-9.46080e-04
Coefficient D			2.00900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	367.14	J/mol×K	273.00	Calculated Property
Cp,gas	449.93	J/mol×K	353.78	Calculated Property
Cp,gas	523.16	J/mol×K	434.56	Calculated Property
Cp,gas	587.47	J/mol×K	515.33	Calculated Property
Cp,gas	643.48	J/mol×K	596.11	Calculated Property
Cp,gas	691.83	J/mol×K	676.89	Calculated Property
Cp,gas	733.16	J/mol×K	757.67	Calculated Property
Cp,gas	768.10	J/mol×K	838.44	Calculated Property
Cp,gas	797.30	J/mol×K	919.22	Calculated Property
Cp,gas	821.37	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Sulindac methyl derivative.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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