Chemical Properties of Pseudoephedrine (CAS 90-82-4)

InChI

InChI=1S/C10H15NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3/t8-,10-/m0/s1

InChI Key

KWGRBVOPPLSCSI-WPRPVWTQSA-N

Formula

C10H15NO

SMILES

CNC(C)C(O)c1ccccc1

Molecular Weight¹

165.23

CAS

90-82-4

Other Names

• Pseudoephedrine, (+)-
• Benzenemethanol, «alpha»-[1-(methylamino)ethyl]-, [S-(R*,R*)]-
• «psi»-Ephedrine
• «psi»-Ephedrine, (+)-
• «psi»-Ephedrin
• (+)-Pseudoephedrine
• D-«psi»-Ephedrine
• D-isoephedrine
• D-pseudoephedrine
• trans-Ephedrine
• Isoephedrine
• L-(+)-Pseudoephedrine
• Sudafed
• Pseudoephedrine, L-(+)-
• Besan
• d-psi-Ephedrine
• psi-Ephedrine
• «alpha»-((1S)-1-(Methylamino)ethyl)benzyl alcohol, («alpha»S)-
• d-psi-2-Methylamino-1-phenyl-1-propanol
• [S-(R*,R*)]-«alpha»-[1-(methylamino)ethyl]benzenemethanol
• «alpha»-[(1S)-1-(Methylamino)ethyl]benzenemethanol, («alpha»S)-
• Pseudoephedrine d-form
• (+)-(1S,2S)-Pseudoephedrine
• (+)-threo-Ephedrine
• (1S,2S)-(+)-Pseudoephedrine
• (1S,2S)-Pseudoephedrine
• L(+)-«psi»-Ephedrine
• (+) threo-2-(methylamino)-1-phenyl-1-propanol (pseudoephedrine)

• 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_fusH : Enthalpy of fusion at a given temperature (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°	93.42	kJ/mol	Joback Calculated Property
ΔfH°gas	-122.52	kJ/mol	Joback Calculated Property
ΔfusH°	17.84	kJ/mol	Joback Calculated Property
ΔvapH°	62.47	kJ/mol	Joback Calculated Property
log10WS	-2.13		Crippen Calculated Property
logPoct/wat	1.328		Crippen Calculated Property
McVol	143.850	ml/mol	McGowan Calculated Property
Pc	3356.75	kPa	Joback Calculated Property
Inp	[1350.00; 1400.00]
Inp	1360.00		NIST
Inp	1376.00		NIST
Inp	1360.00		NIST
Inp	1360.00		NIST
Inp	1350.00		NIST
Inp	1350.00		NIST
Inp	1357.00		NIST
Inp	1362.00		NIST
Inp	1367.00		NIST
Inp	1397.00		NIST
Inp	1398.00		NIST
Inp	Outlier 1400.00		NIST
Inp	1354.00		NIST
Inp	1360.00		NIST
Inp	1350.00		NIST
Inp	1350.00		NIST
Inp	1354.00		NIST
Inp	1360.00		NIST
Inp	1376.00		NIST
Inp	1357.00		NIST
Inp	Outlier 1400.00		NIST
Inp	1350.00		NIST
I	[2185.00; 2225.00]
I	2185.00		NIST
I	2195.00		NIST
I	2205.00		NIST
I	2213.00		NIST
I	2217.00		NIST
I	2225.00		NIST
Tboil	596.35	K	Joback Calculated Property
Tc	797.42	K	Joback Calculated Property
Tfus	312.36	K	Joback Calculated Property
Vc	0.529	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[361.03; 428.04]	J/mol×K	[596.35; 797.42]
Cp,gas	361.03	J/mol×K	596.35	Joback Calculated Property
Cp,gas	374.04	J/mol×K	629.86	Joback Calculated Property
Cp,gas	386.27	J/mol×K	663.37	Joback Calculated Property
Cp,gas	397.75	J/mol×K	696.89	Joback Calculated Property
Cp,gas	408.51	J/mol×K	730.40	Joback Calculated Property
Cp,gas	418.60	J/mol×K	763.91	Joback Calculated Property
Cp,gas	428.04	J/mol×K	797.42	Joback Calculated Property
ΔfusH	31.95	kJ/mol	392.40	NIST

Similar Compounds

Find more compounds similar to Pseudoephedrine.

Sources

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

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.