Chemical Properties of Benzenemethanol, 4-hydroxy-«alpha»-[1-(methylamino)ethyl]-, (R*,S*)- (CAS 365-26-4)

InChI

InChI=1S/C10H15NO2/c1-7(11-2)10(13)8-3-5-9(12)6-4-8/h3-7,10-13H,1-2H3

InChI Key

OXFGTKPPFSCSMA-UHFFFAOYSA-N

Formula

C10H15NO2

SMILES

CNC(C)C(O)c1ccc(O)cc1

Molecular Weight¹

181.23

CAS

365-26-4

Other Names

• Benzyl alcohol, p-hydroxy-«alpha»-(1-(methylamino)ethyl)-
• Hydroxyephedrine
• p-Hydroxyephedrine
• 4-Hydroxyephedrine
• Methylsympatol
• p-Oxy-ephedrin
• Oxyephedrine
• Suprifen
• Suprifene
• Supriphen
• Ephedrine, p-hydroxy-
• Oxilofrine
• (R*,S*)-4-hydroxy-«alpha»-[1-(methylamino)ethyl]benzyl alcohol

• 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.
• 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°	-61.20	kJ/mol	Joback Calculated Property
ΔfH°gas	-299.83	kJ/mol	Joback Calculated Property
ΔfusH°	23.62	kJ/mol	Joback Calculated Property
ΔvapH°	75.48	kJ/mol	Joback Calculated Property
log10WS	-1.68		Crippen Calculated Property
logPoct/wat	1.033		Crippen Calculated Property
McVol	149.720	ml/mol	McGowan Calculated Property
Pc	4021.02	kPa	Joback Calculated Property
Inp	[1682.00; 1682.00]
Inp	1682.00		NIST
Inp	1682.00		NIST
Tboil	676.97	K	Joback Calculated Property
Tc	887.54	K	Joback Calculated Property
Tfus	424.08	K	Joback Calculated Property
Vc	0.495	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[410.56; 469.91]	J/mol×K	[676.97; 887.54]
Cp,gas	410.56	J/mol×K	676.97	Joback Calculated Property
Cp,gas	421.95	J/mol×K	712.06	Joback Calculated Property
Cp,gas	432.64	J/mol×K	747.16	Joback Calculated Property
Cp,gas	442.70	J/mol×K	782.25	Joback Calculated Property
Cp,gas	452.22	J/mol×K	817.35	Joback Calculated Property
Cp,gas	461.26	J/mol×K	852.44	Joback Calculated Property
Cp,gas	469.91	J/mol×K	887.54	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzenemethanol, 4-hydroxy-«alpha»-[1-(methylamino)ethyl]-, (R*,S*)-.

Sources

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

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