Chemical Properties of MEXILETINE

InChI

InChI=1S/C11H17NO/c1-8-5-4-6-9(2)11(8)13-7-10(3)12/h4-6,10H,7,12H2,1-3H3

InChI Key

VLPIATFUUWWMKC-UHFFFAOYSA-N

Formula

C11H17NO

SMILES

Cc1cccc(C)c1OCC(C)N

Molecular Weight¹

179.26

Other Names

• 1-(2',6'-Dimethylphenoxy)-2-aminopropane
• 1-(2,6-Dimethylphenoxy)-2-aminopropane
• 1-(2,6-Dimethylphenoxy)-2-propanamine
• 1-Methyl-2-(2,6-xylyloxy)ethylamine
• 2-Amino-1-(2,6-dimethylphenoxy)propane
• 2-Propanamine, 1-(2,6-dimethylphenoxy)-
• 5370-01-4
• Ethylamine, 1-methyl-2-(2,6-xylyloxy)-
• Mexiletina
• Mexilitine

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate 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, Log10 of Water solubility in mol/l 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	[222.14; 517.23]	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			1.78910e+01
Coefficient B			8.55560e-01
Coefficient C			-4.07320e-04
Coefficient D			5.11000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	222.14	J/mol×K	273.00	Calculated Property
Cp,gas	271.85	J/mol×K	353.78	Calculated Property
Cp,gas	316.95	J/mol×K	434.56	Calculated Property
Cp,gas	357.61	J/mol×K	515.33	Calculated Property
Cp,gas	393.98	J/mol×K	596.11	Calculated Property
Cp,gas	426.23	J/mol×K	676.89	Calculated Property
Cp,gas	454.52	J/mol×K	757.67	Calculated Property
Cp,gas	479.01	J/mol×K	838.44	Calculated Property
Cp,gas	499.86	J/mol×K	919.22	Calculated Property
Cp,gas	517.23	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to MEXILETINE.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• 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.
Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
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