Chemical Properties of Xipamide

InChI

InChI=1S/C15H15ClN2O4S/c1-8-4-3-5-9(2)14(8)18-15(20)10-6-13(23(17,21)22)11(16)7-12(10)19/h3-7,19H,1-2H3,(H,18,20)(H2,17,21,22)

InChI Key

MTZBBNMLMNBNJL-UHFFFAOYSA-N

Formula

C15H15ClN2O4S

SMILES

Cc1cccc(C)c1NC(=O)c1cc(S(N)(=O)=O)c(Cl)cc1O

Molecular Weight¹

354.81

Other Names

• 4-chloro-N-(2,6-dimethylphenyl)-2-hydroxy-5-sulfamoylbenzamide

• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	54.38	kJ/mol	Joback Calculated Property
log10WS	[-3.79; -3.79]
log10WS	-3.79		Aq. Solubility Prediction
log10WS	-3.79		Estimated Solubility
logPoct/wat	2.562		Crippen Calculated Property
McVol	242.420	ml/mol	McGowan Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, 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	[333.17; 705.78]	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			2.84900e+01
Coefficient B			1.33813e+00
Coefficient C			-8.70900e-04
Coefficient D			2.10060e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	333.17	J/mol×K	273.00	Calculated Property
Cp,gas	402.19	J/mol×K	353.78	Calculated Property
Cp,gas	462.76	J/mol×K	434.56	Calculated Property
Cp,gas	515.54	J/mol×K	515.33	Calculated Property
Cp,gas	561.19	J/mol×K	596.11	Calculated Property
Cp,gas	600.37	J/mol×K	676.89	Calculated Property
Cp,gas	633.76	J/mol×K	757.67	Calculated Property
Cp,gas	662.02	J/mol×K	838.44	Calculated Property
Cp,gas	685.80	J/mol×K	919.22	Calculated Property
Cp,gas	705.78	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Xipamide.

Sources

• 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
• Joback Method
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method

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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