Chemical Properties of MEXILETINE, M(DESAMINO-OXO-HO-)ISOMER 1, AC

InChI

InChI=1S/C13H16O4/c1-8-5-12(17-11(4)15)6-9(2)13(8)16-7-10(3)14/h5-6H,7H2,1-4H3

InChI Key

KEZJMWTUAZTVQH-UHFFFAOYSA-N

Formula

C13H16O4

SMILES

CC(=O)COc1c(C)cc(OC(C)=O)cc1C

Molecular Weight¹

236.27

• 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).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	27.87	kJ/mol	Joback Calculated Property
IE	7.93	eV	Relay (1.0) Calculated Property
logPoct/wat	2.197		Crippen Calculated Property
McVol	185.150	ml/mol	McGowan Calculated Property
Inp	[1700.00; 1700.00]
Inp	1700.00		NIST
Inp	1700.00		NIST
Tboil	576.69	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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, 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[485.63; 555.18]	J/mol×K	[691.04; 901.40]
Cp,gas	485.63	J/mol×K	691.04	Joback Calculated Property
Cp,gas	499.26	J/mol×K	726.10	Joback Calculated Property
Cp,gas	512.08	J/mol×K	761.16	Joback Calculated Property
Cp,gas	524.10	J/mol×K	796.22	Joback Calculated Property
Cp,gas	535.29	J/mol×K	831.28	Joback Calculated Property
Cp,gas	545.65	J/mol×K	866.34	Joback Calculated Property
Cp,gas	555.18	J/mol×K	901.40	Joback Calculated Property
η	[0.0001327; 0.0007449]	Pa×s	[444.57; 691.04]
η	0.0007449	Pa×s	444.57	Joback Calculated Property
η	0.0004947	Pa×s	485.65	Joback Calculated Property
η	0.0003503	Pa×s	526.73	Joback Calculated Property
η	0.0002607	Pa×s	567.81	Joback Calculated Property
η	0.0002019	Pa×s	608.88	Joback Calculated Property
η	0.0001615	Pa×s	649.96	Joback Calculated Property
η	0.0001327	Pa×s	691.04	Joback Calculated Property

Similar Compounds

Find more compounds similar to MEXILETINE, M(DESAMINO-OXO-HO-)ISOMER 1, AC.

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.