Chemical Properties of MEXILETINE, M (DESAMINO-HO-), AC

InChI

InChI=1S/C13H18O3/c1-9-6-5-7-10(2)13(9)15-8-11(3)16-12(4)14/h5-7,11H,8H2,1-4H3

InChI Key

UBRVYWISYBOFHE-UHFFFAOYSA-N

Formula

C13H18O3

SMILES

CC(=O)OC(C)COc1c(C)cccc1C

Molecular Weight¹

222.28

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	24.72	kJ/mol	Joback Calculated Property
IE	8.32	eV	Relay (1.0) Calculated Property
logPoct/wat	2.634		Crippen Calculated Property
McVol	183.580	ml/mol	McGowan Calculated Property
Pc	2125.60	kPa	Joback Calculated Property
Inp	[1530.00; 1530.00]
Inp	1530.00		NIST
Inp	1530.00		NIST
Tboil	545.69	K	Relay (1.0) Calculated Property
Tc	746.55	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, 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	[260.53; 592.55]	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			3.49910e+01
Coefficient B			9.28880e-01
Coefficient C			-3.78120e-04
Coefficient D			6.80000e-09
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	260.53	J/mol×K	273.00	Calculated Property
Cp,gas	316.58	J/mol×K	353.78	Calculated Property
Cp,gas	367.80	J/mol×K	434.56	Calculated Property
Cp,gas	414.19	J/mol×K	515.33	Calculated Property
Cp,gas	455.78	J/mol×K	596.11	Calculated Property
Cp,gas	492.60	J/mol×K	676.89	Calculated Property
Cp,gas	524.67	J/mol×K	757.67	Calculated Property
Cp,gas	552.00	J/mol×K	838.44	Calculated Property
Cp,gas	574.62	J/mol×K	919.22	Calculated Property
Cp,gas	592.55	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0016063; 0.0001376]	Pa×s	[337.29; 572.93]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.24080e+01
Coefficient B			2.01505e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			337.29
Temperature range, max.			572.93
η	0.0016063	Pa×s	337.29	Calculated Property
η	0.0010446	Pa×s	363.47	Calculated Property
η	0.0007197	Pa×s	389.65	Calculated Property
η	0.0005197	Pa×s	415.84	Calculated Property
η	0.0003900	Pa×s	442.02	Calculated Property
η	0.0003023	Pa×s	468.20	Calculated Property
η	0.0002407	Pa×s	494.38	Calculated Property
η	0.0001960	Pa×s	520.56	Calculated Property
η	0.0001629	Pa×s	546.75	Calculated Property
η	0.0001376	Pa×s	572.93	Calculated Property

Similar Compounds

Find more compounds similar to MEXILETINE, M (DESAMINO-HO-), AC.

Sources

• Cheméo Relay (1.0)
• 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.
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