Chemical Properties of synephrine

InChI

InChI=1S/C9H13NO2/c1-10-6-9(12)7-2-4-8(11)5-3-7/h2-5,9-12H,6H2,1H3

InChI Key

YRCWQPVGYLYSOX-UHFFFAOYSA-N

Formula

C9H13NO2

SMILES

CNCC(O)c1ccc(O)cc1

Molecular Weight¹

167.21

Other Names

• (.+-.)-synephrine
• 4-hydroxy-alpha-[(methylamino)methyl]-benzenemethanol

• 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).
• ρ_s : Solid Density (kg/m³).
• 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°	-67.18	kJ/mol	Joback Calculated Property
ΔfH°gas	-273.91	kJ/mol	Joback Calculated Property
ΔfusH°	[57.00; 99.70]	kJ/mol
ΔfusH°	57.00	kJ/mol	Crystal...
ΔfusH°	99.70 ± 0.10	kJ/mol	Study o...
ΔvapH°	73.65	kJ/mol	Joback Calculated Property
log10WS	-1.15		Crippen Calculated Property
logPoct/wat	0.645		Crippen Calculated Property
McVol	135.630	ml/mol	McGowan Calculated Property
Pc	4510.35	kPa	Joback Calculated Property
Tboil	654.53	K	Joback Calculated Property
Tc	864.38	K	Joback Calculated Property
Tfus	[463.53; 472.95]	K
Tfus	472.95	K	Crystal...
Tfus	463.53 ± 0.10	K	Study o...
Vc	0.446	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[360.90; 415.28]	J/mol×K	[654.53; 864.38]
Cp,gas	360.90	J/mol×K	654.53	Joback Calculated Property
Cp,gas	371.37	J/mol×K	689.51	Joback Calculated Property
Cp,gas	381.18	J/mol×K	724.48	Joback Calculated Property
Cp,gas	390.40	J/mol×K	759.46	Joback Calculated Property
Cp,gas	399.12	J/mol×K	794.43	Joback Calculated Property
Cp,gas	407.38	J/mol×K	829.41	Joback Calculated Property
Cp,gas	415.28	J/mol×K	864.38	Joback Calculated Property
ρs	1256.00	kg/m3	294.00	Crystal...

Similar Compounds

Find more compounds similar to synephrine.

Sources

• Crippen Method
• Crippen Method
• Study of phase equilibria and the physicochemical properties of selected pharmaceuticals
• Crystal structure determination and thermal behavior upon melting of p-synephrine
• Joback Method
• McGowan Method

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