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_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).
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[360.96; 415.33]	J/mol×K	[654.73; 864.65]
Cp,gas	360.96	J/mol×K	654.73	Joback Calculated Property
Cp,gas	371.43	J/mol×K	689.72	Joback Calculated Property
Cp,gas	381.24	J/mol×K	724.70	Joback Calculated Property
Cp,gas	390.46	J/mol×K	759.69	Joback Calculated Property
Cp,gas	399.18	J/mol×K	794.68	Joback Calculated Property
Cp,gas	407.44	J/mol×K	829.66	Joback Calculated Property
Cp,gas	415.33	J/mol×K	864.65	Joback Calculated Property

Similar Compounds

Find more compounds similar to synephrine.

Mixtures

• Water + synephrine
• Ethanol + synephrine
• 1-Octanol + synephrine

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• 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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