Chemical Properties of Normethadone (CAS 467-85-6)

InChI

InChI=1S/C20H25NO/c1-4-19(22)20(15-16-21(2)3,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14H,4,15-16H2,1-3H3

InChI Key

WCJFBSYALHQBSK-UHFFFAOYSA-N

Formula

C20H25NO

SMILES

CCC(=O)C(CCN(C)C)(c1ccccc1)c1ccccc1

Molecular Weight¹

295.42

CAS

467-85-6

Other Names

• 3-Hexanone, 6-(dimethylamino)-4,4-diphenyl-
• Dacartil
• Desmethylmethadone
• Eucopon
• Hoechst 10582
• Isoamidone I
• Isomethadone I
• Mepidon
• Noramidone
• Normedon
• Phenyldimazone
• 6-Dimethylamino-4,4-diphenyl-3-hexanone
• 6-Dimethylamio-4-diphenyl-3-hexanone
• NSC 19598
• 1-Dimethylamino-3,3-diphenyl-4-hexanone

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion 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).
• I_np : Non-polar retention indices.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	32.84	kJ/mol	Joback Calculated Property
log10WS	-3.67		Relay (1.0) Calculated Property
logPoct/wat	3.904		Crippen Calculated Property
McVol	256.690	ml/mol	McGowan Calculated Property
Inp	[2090.00; 2095.00]
Inp	2090.00		NIST
Inp	2095.00		NIST
Inp	2091.00		NIST
Inp	2095.00		NIST
Tfus	427.91	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, 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, Ionization energy 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[330.22; 842.61]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-1.10907e+02
Coefficient B			1.96776e+00
Coefficient C			-1.39230e-03
Coefficient D			3.78060e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	330.22	J/mol×K	273.00	Calculated Property
Cp,gas	427.72	J/mol×K	353.78	Calculated Property
Cp,gas	512.30	J/mol×K	434.56	Calculated Property
Cp,gas	585.13	J/mol×K	515.33	Calculated Property
Cp,gas	647.43	J/mol×K	596.11	Calculated Property
Cp,gas	700.38	J/mol×K	676.89	Calculated Property
Cp,gas	745.17	J/mol×K	757.67	Calculated Property
Cp,gas	783.01	J/mol×K	838.44	Calculated Property
Cp,gas	815.10	J/mol×K	919.22	Calculated Property
Cp,gas	842.61	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Normethadone.

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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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