Chemical Properties of Orphenadrine (CAS 83-98-7)

InChI

InChI=1S/C18H23NO/c1-15-9-7-8-12-17(15)18(20-14-13-19(2)3)16-10-5-4-6-11-16/h4-12,18H,13-14H2,1-3H3

InChI Key

QVYRGXJJSLMXQH-UHFFFAOYSA-N

Formula

C18H23NO

SMILES

Cc1ccccc1C(OCCN(C)C)c1ccccc1

Molecular Weight¹

269.38

CAS

83-98-7

Other Names

• Norflex
• Ethanamine, N,N-dimethyl-2-[(2-methylphenyl)phenylmethoxy]-
• o-Methyldiphenhydramine
• Brocadisipal
• Disipal
• Orphenadrin
• Orphenedrine
• Phenyl-o-tolylmethyl dimethylaminoethyl ether
• WS 2434
• 2-Methyldiphenhydramine
• Ethylamine, N,N-dimethyl-2-((o-methyl-«alpha»-phenylbenzyl)oxy)-
• «beta»-Dimethylaminoethyl 2-methylbenzhydryl ether
• Biorphen
• BS-5930
• N,N-Dimethyl-2-[(o-methyl-«alpha»-phenylbenzyl)oxy]ethylamine
• ORP
• Orphenadine

• 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.
• I_p : Polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	30.75	kJ/mol	Joback Calculated Property
log10WS	-2.72		Relay (1.0) Calculated Property
logPoct/wat	3.663		Crippen Calculated Property
McVol	232.810	ml/mol	McGowan Calculated Property
Inp	[1915.00; 1950.00]
Inp	1943.00		NIST
Inp	1932.00		NIST
Inp	1950.00		NIST
Inp	1927.00		NIST
Inp	1950.00		NIST
Inp	1924.00		NIST
Inp	1924.00		NIST
Inp	1915.00		NIST
Inp	1925.00		NIST
Inp	1924.00		NIST
Inp	1915.00		NIST
Inp	1924.00		NIST
Inp	1930.00		NIST
Inp	1940.00		NIST
Inp	1924.00		NIST
Inp	1925.00		NIST
Inp	1936.00		NIST
Inp	1924.00		NIST
Inp	1943.00		NIST
Inp	1932.00		NIST
Ip	[2562.00; 2562.00]
Ip	2562.00		NIST
Ip	2562.00		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, 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	[305.96; 764.94]	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			-5.38580e+01
Coefficient B			1.56316e+00
Coefficient C			-9.55560e-04
Coefficient D			2.11200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	305.96	J/mol×K	273.00	Calculated Property
Cp,gas	388.91	J/mol×K	353.78	Calculated Property
Cp,gas	462.31	J/mol×K	434.56	Calculated Property
Cp,gas	526.83	J/mol×K	515.33	Calculated Property
Cp,gas	583.14	J/mol×K	596.11	Calculated Property
Cp,gas	631.91	J/mol×K	676.89	Calculated Property
Cp,gas	673.81	J/mol×K	757.67	Calculated Property
Cp,gas	709.50	J/mol×K	838.44	Calculated Property
Cp,gas	739.66	J/mol×K	919.22	Calculated Property
Cp,gas	764.94	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Orphenadrine.

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.