Chemical Properties of MEXILETINE, M(DESAMINO-OXO-)

InChI

InChI=1S/C11H14O2/c1-8-5-4-6-9(2)11(8)13-7-10(3)12/h4-6H,7H2,1-3H3

InChI Key

XDJULAUHYAJQBU-UHFFFAOYSA-N

Formula

C11H14O2

SMILES

CC(=O)COc1c(C)cccc1C

Molecular Weight¹

178.23

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• 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

Property	Value	Unit	Source
ΔfH°gas	-281.80	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	20.30	kJ/mol	Joback Calculated Property
IE	8.26	eV	Relay (1.0) Calculated Property
logPoct/wat	2.271		Crippen Calculated Property
McVol	149.530	ml/mol	McGowan Calculated Property
Inp	[1350.00; 1350.00]
Inp	1350.00		NIST
Inp	1350.00		NIST
Tboil	528.97	K	Relay (1.0) Calculated Property
Tfus	325.44	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, 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	[345.82; 418.63]	J/mol×K	[564.01; 775.37]
Cp,gas	345.82	J/mol×K	564.01	Joback Calculated Property
Cp,gas	359.69	J/mol×K	599.24	Joback Calculated Property
Cp,gas	372.86	J/mol×K	634.46	Joback Calculated Property
Cp,gas	385.33	J/mol×K	669.69	Joback Calculated Property
Cp,gas	397.11	J/mol×K	704.92	Joback Calculated Property
Cp,gas	408.21	J/mol×K	740.15	Joback Calculated Property
Cp,gas	418.63	J/mol×K	775.37	Joback Calculated Property
η	[0.0001909; 0.0013555]	Pa×s	[337.35; 564.01]
η	0.0013555	Pa×s	337.35	Joback Calculated Property
η	0.0008295	Pa×s	375.13	Joback Calculated Property
η	0.0005553	Pa×s	412.90	Joback Calculated Property
η	0.0003976	Pa×s	450.68	Joback Calculated Property
η	0.0002998	Pa×s	488.46	Joback Calculated Property
η	0.0002354	Pa×s	526.23	Joback Calculated Property
η	0.0001909	Pa×s	564.01	Joback Calculated Property

Similar Compounds

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

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.