Chemical Properties of Normorphine (CAS 466-97-7)

InChI

InChI=1S/C16H17NO3/c18-11-3-1-8-7-10-9-2-4-12(19)15-16(9,5-6-17-10)13(8)14(11)20-15/h1-4,9-10,12,15,17-19H,5-7H2

InChI Key

ONBWJWYUHXVEJS-UHFFFAOYSA-N

Formula

C16H17NO3

SMILES

Oc1ccc2c3c1OC1C(O)C=CC4C(C2)NCCC341

Molecular Weight¹

271.31

CAS

466-97-7

Other Names

• Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-, (5«alpha»,6«alpha»)-
• Demethylmorphine
• Desmethylmorphine
• Morphinan-3,6«alpha»-diol, 7,8-didehydro-4,5«alpha»-epoxy-
• N-Normorphine
• 4,5-Epoxy-3,6-dihydroxymorphin-7-ene

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

Physical Properties

Property	Value	Unit	Source
ΔfusH°	46.43	kJ/mol	Joback Calculated Property
IE	7.95	eV	Relay (1.0) Calculated Property
log10WS	-1.79		Relay (1.0) Calculated Property
logPoct/wat	0.856		Crippen Calculated Property
McVol	192.390	ml/mol	McGowan Calculated Property
Inp	[2438.00; 2438.00]
Inp	2438.00		NIST
Inp	2438.00		NIST
Inp	2438.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, 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 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	[254.70; 713.65]	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			-2.23590e+02
Coefficient B			2.31110e+00
Coefficient C			-2.30126e-03
Coefficient D			9.27400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	254.70	J/mol×K	273.00	Calculated Property
Cp,gas	347.07	J/mol×K	353.78	Calculated Property
Cp,gas	422.25	J/mol×K	434.56	Calculated Property
Cp,gas	483.18	J/mol×K	515.33	Calculated Property
Cp,gas	532.78	J/mol×K	596.11	Calculated Property
Cp,gas	574.00	J/mol×K	676.89	Calculated Property
Cp,gas	609.76	J/mol×K	757.67	Calculated Property
Cp,gas	643.00	J/mol×K	838.44	Calculated Property
Cp,gas	676.66	J/mol×K	919.22	Calculated Property
Cp,gas	713.65	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Normorphine.

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.
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