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_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization 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).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	-99.03	kJ/mol	Joback Calculated Property
ΔfH°gas	-301.58	kJ/mol	Joback Calculated Property
ΔfusH°	20.30	kJ/mol	Joback Calculated Property
ΔvapH°	52.84	kJ/mol	Joback Calculated Property
log10WS	-2.66		Crippen Calculated Property
logPoct/wat	2.271		Crippen Calculated Property
McVol	149.530	ml/mol	McGowan Calculated Property
Pc	2693.00	kPa	Joback Calculated Property
Inp	[1350.00; 1350.00]
Inp	1350.00		NIST
Inp	1350.00		NIST
Tboil	564.01	K	Joback Calculated Property
Tc	775.37	K	Joback Calculated Property
Tfus	337.35	K	Joback Calculated Property
Vc	0.568	m3/kmol	Joback Calculated Property

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

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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