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

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.7271		Relay (1.0) Calculated Property
ΔfG°	-67.18	kJ/mol	Joback Calculated Property
ΔfH°gas	-263.42	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	[57.00; 99.70]	kJ/mol
ΔfusH°	57.00	kJ/mol	Crystal structure determination and thermal behavior upon melting of p-synephrine
ΔfusH°	99.70 ± 0.10	kJ/mol	Study of phase equilibria and the physicochemical properties of selected pharmaceuticals
ΔvapH°	102.81	kJ/mol	Relay (1.0) Calculated Property
IE	8.17	eV	Relay (1.0) Calculated Property
log10WS	0.50		Relay (1.0) 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	568.33	K	Relay (1.0) Calculated Property
Tc	802.29	K	Relay (1.0) Calculated Property
Tfus	[463.53; 472.95]	K
Tfus	472.95	K	Crystal structure determination and thermal behavior upon melting of p-synephrine
Tfus	463.53 ± 0.10	K	Study of phase equilibria and the physicochemical properties of selected pharmaceuticals
Vc	0.464	m3/kmol	Relay (1.0) 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 structure determination and thermal behavior upon melting of p-synephrine

Similar Compounds

Find more compounds similar to synephrine.

Sources

• Cheméo Relay (1.0)
• 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

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.