Chemical Properties of MEXILETINE, M (DESAMINO-DI-HO-) ISOMER 3, AC

InChI

InChI=1S/C15H20O5/c1-9-6-14(20-13(5)17)7-10(2)15(9)18-8-11(3)19-12(4)16/h6-7,11H,8H2,1-5H3

InChI Key

CSZXIHIQDZFRQA-UHFFFAOYSA-N

Formula

C15H20O5

SMILES

CC(=O)Oc1cc(C)c(OCC(C)OC(C)=O)c(C)c1

Molecular Weight¹

280.32

• 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°	-416.34	kJ/mol	Joback Calculated Property
ΔfH°gas	-777.91	kJ/mol	Joback Calculated Property
ΔfusH°	30.72	kJ/mol	Joback Calculated Property
ΔvapH°	73.58	kJ/mol	Joback Calculated Property
log10WS	-3.51		Crippen Calculated Property
logPoct/wat	2.559		Crippen Calculated Property
McVol	219.200	ml/mol	McGowan Calculated Property
Pc	1908.57	kPa	Joback Calculated Property
Inp	[1940.00; 1940.00]
Inp	1940.00		NIST
Inp	1940.00		NIST
Tboil	758.78	K	Joback Calculated Property
Tc	965.88	K	Joback Calculated Property
Tfus	474.34	K	Joback Calculated Property
Vc	0.828	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[619.61; 691.36]	J/mol×K	[758.78; 965.88]
Cp,gas	619.61	J/mol×K	758.78	Joback Calculated Property
Cp,gas	634.06	J/mol×K	793.30	Joback Calculated Property
Cp,gas	647.53	J/mol×K	827.81	Joback Calculated Property
Cp,gas	660.02	J/mol×K	862.33	Joback Calculated Property
Cp,gas	671.49	J/mol×K	896.85	Joback Calculated Property
Cp,gas	681.94	J/mol×K	931.36	Joback Calculated Property
Cp,gas	691.36	J/mol×K	965.88	Joback Calculated Property
η	[0.0000753; 0.0005428]	Pa×s	[474.34; 758.78]
η	0.0005428	Pa×s	474.34	Joback Calculated Property
η	0.0003363	Pa×s	521.75	Joback Calculated Property
η	0.0002257	Pa×s	569.15	Joback Calculated Property
η	0.0001610	Pa×s	616.56	Joback Calculated Property
η	0.0001206	Pa×s	663.97	Joback Calculated Property
η	0.0000938	Pa×s	711.37	Joback Calculated Property
η	0.0000753	Pa×s	758.78	Joback Calculated Property

Similar Compounds

Find more compounds similar to MEXILETINE, M (DESAMINO-DI-HO-) ISOMER 3, AC.

Sources

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

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