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_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization 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).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• I : 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
ΔfG°	319.21	kJ/mol	Joback Calculated Property
ΔfH°gas	-23.23	kJ/mol	Joback Calculated Property
ΔfusH°	30.75	kJ/mol	Joback Calculated Property
ΔvapH°	64.94	kJ/mol	Joback Calculated Property
log10WS	-3.84		Crippen Calculated Property
logPoct/wat	3.663		Crippen Calculated Property
McVol	232.810	ml/mol	McGowan Calculated Property
Pc	1874.03	kPa	Joback 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
I	[2562.00; 2562.00]
I	2562.00		NIST
I	2562.00		NIST
Tboil	704.00	K	Joback Calculated Property
Tc	924.74	K	Joback Calculated Property
Tfus	397.68	K	Joback Calculated Property
Vc	0.858	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[646.71; 741.53]	J/mol×K	[704.00; 924.74]
Cp,gas	646.71	J/mol×K	704.00	Joback Calculated Property
Cp,gas	665.59	J/mol×K	740.79	Joback Calculated Property
Cp,gas	683.16	J/mol×K	777.58	Joback Calculated Property
Cp,gas	699.47	J/mol×K	814.37	Joback Calculated Property
Cp,gas	714.60	J/mol×K	851.16	Joback Calculated Property
Cp,gas	728.60	J/mol×K	887.95	Joback Calculated Property
Cp,gas	741.53	J/mol×K	924.74	Joback Calculated Property

Similar Compounds

Find more compounds similar to Orphenadrine.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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