Chemical Properties of Metopon (CAS 143-52-2)

InChI

InChI=1S/C18H21NO3/c1-17-14(21)6-4-11-12-9-10-3-5-13(20)16(22-17)15(10)18(11,17)7-8-19(12)2/h3,5,11-12,20H,4,6-9H2,1-2H3

InChI Key

NPZXCTIHHUUEEJ-UHFFFAOYSA-N

Formula

C18H21NO3

SMILES

CN1CCC23c4c5ccc(O)c4OC2(C)C(=O)CCC3C1C5

Molecular Weight¹

299.36

CAS

143-52-2

Other Names

• Morphinan-6-one, 4,5-«alpha»-epoxy-3-hydroxy-5,17-dimethyl-
• Dihydro-5-methylmorphinone
• 4,5-«alpha»-Epoxy-3-hydroxy-5,17-diethylmorphinan-6-one
• Methyldihydromorphinone
• 5-Methyldihydromorphinone
• Morphinone, dihydro-5-methyl-
• Morphinone, methyldihydro-
• (5«alpha»)-4,5-Epoxy-3-hydroxy-5,17-dimethylmorphinan-6-one
• Morphinan-6-one, 4,5-epoxy-3-hydroxy-5,17-dimethyl-, (5«alpha»)-

• ω : Acentric Factor.
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation 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

Property	Value	Unit	Source
ω	0.6798		Relay (1.0) Calculated Property
ΔfG°	-74.24	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-332.56	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	111.96	kJ/mol	Relay (1.0) Calculated Property
IE	7.52	eV	Relay (1.0) Calculated Property
log10WS	-2.06		Relay (1.0) Calculated Property
logPoct/wat	2.020		Crippen Calculated Property
McVol	220.570	ml/mol	McGowan Calculated Property
Pc	2210.07	kPa	Relay (1.0-beta) Calculated Property
Inp	[2380.00; 2459.00]
Inp	2380.00		NIST
Inp	2459.00		NIST
Inp	2380.00		NIST
Tboil	635.72	K	Relay (1.0) Calculated Property
Tc	988.57	K	Relay (1.0) Calculated Property
Tfus	455.46	K	Relay (1.0) Calculated Property
Vc	0.824	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Metopon.

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
• McGowan Method
• NIST Webbook

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