Chemical Properties of Norhydrocodone (CAS 5083-62-5)

InChI

InChI=1S/C17H19NO3/c1-20-13-5-2-9-8-11-10-3-4-12(19)16-17(10,6-7-18-11)14(9)15(13)21-16/h2,5,10-11,16,18H,3-4,6-8H2,1H3

InChI Key

JGORUXKMRLIJSV-UHFFFAOYSA-N

Formula

C17H19NO3

SMILES

COc1ccc2c3c1OC1C(=O)CCC4C(C2)NCCC314

Molecular Weight¹

285.34

CAS

5083-62-5

• 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°	37.17	kJ/mol	Joback Calculated Property
log10WS	-2.22		Relay (1.0) Calculated Property
logPoct/wat	1.591		Crippen Calculated Property
McVol	206.480	ml/mol	McGowan Calculated Property
Inp	[2569.50; 2569.50]
Inp	2569.50		NIST
Inp	2569.50		NIST
Tfus	431.38	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	[275.06; 763.38]	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			-1.58360e+02
Coefficient B			2.00902e+00
Coefficient C			-1.71498e-03
Coefficient D			6.27700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	275.06	J/mol×K	273.00	Calculated Property
Cp,gas	365.54	J/mol×K	353.78	Calculated Property
Cp,gas	442.33	J/mol×K	434.56	Calculated Property
Cp,gas	507.42	J/mol×K	515.33	Calculated Property
Cp,gas	562.79	J/mol×K	596.11	Calculated Property
Cp,gas	610.43	J/mol×K	676.89	Calculated Property
Cp,gas	652.32	J/mol×K	757.67	Calculated Property
Cp,gas	690.46	J/mol×K	838.44	Calculated Property
Cp,gas	726.81	J/mol×K	919.22	Calculated Property
Cp,gas	763.38	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Norhydrocodone.

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.
These property values are available through the Cheméo API. A free account gives you an access key.