Chemical Properties of Isomethadone (CAS 466-40-0)

InChI

InChI=1S/C21H27NO/c1-5-20(23)21(17(2)16-22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17H,5,16H2,1-4H3

InChI Key

IFKPLJWIEQBPGG-UHFFFAOYSA-N

Formula

C21H27NO

SMILES

CCC(=O)C(c1ccccc1)(c1ccccc1)C(C)CN(C)C

Molecular Weight¹

309.45

CAS

466-40-0

Other Names

• 3-Hexanone, 6-(dimethylamino)-4,4-diphenyl-5-methyl-
• 6-Dimethylamino-5-methyl-4,4-diphenyl-3-hexanone
• 1,1-Diphenyl-1-(dimethylaminoisopropyl)butanone-2
• Isoamidone ii
• Isomethadone ii
• Isadanone
• Isoamidone
• Liden (l-form)
• Win-1783

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• IE : Ionization energy (eV).
• 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

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[810.86; 902.81]	J/mol×K	[795.88; 1024.40]
Cp,gas	810.86	J/mol×K	795.88	Joback Calculated Property
Cp,gas	829.20	J/mol×K	833.97	Joback Calculated Property
Cp,gas	846.17	J/mol×K	872.05	Joback Calculated Property
Cp,gas	861.88	J/mol×K	910.14	Joback Calculated Property
Cp,gas	876.47	J/mol×K	948.22	Joback Calculated Property
Cp,gas	890.07	J/mol×K	986.31	Joback Calculated Property
Cp,gas	902.81	J/mol×K	1024.40	Joback Calculated Property

Similar Compounds

Find more compounds similar to Isomethadone.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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