Chemical Properties of Octopamine (CAS 104-14-3)

InChI

InChI=1S/C8H11NO2/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4,8,10-11H,5,9H2

InChI Key

QHGUCRYDKWKLMG-UHFFFAOYSA-N

Formula

C8H11NO2

SMILES

NCC(O)c1ccc(O)cc1

Molecular Weight¹

153.18

CAS

104-14-3

Other Names

• Benzenemethanol, «alpha»-(aminomethyl)-4-hydroxy-
• Benzyl alcohol, «alpha»-(aminomethyl)-p-hydroxy-
• «alpha»-(Aminomethyl)-p-hydroxybenzyl alcohol
• 1-(p-Hydroxyphenyl)-2-aminoethanol
• p-Hydroxyphenylethanolamine
• Norden
• Norphen
• Norsympathol
• Norsynephrine
• Paraoxyphenyl aminoethanol
• WIN 5512
• dl-Octopamine
• (.+/-.)-«alpha»-(Aminomethyl)-p-hydroxybenzyl alcohol
• ND 50
• Norsympatol
• (.+/-.)-Octopamine
• Analet

• 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).
• 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).
• 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 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[167.38; 391.13]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-3.71090e+01
Coefficient B			9.41300e-01
Coefficient C			-7.75960e-04
Coefficient D			2.62900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	167.38	J/mol×K	273.00	Calculated Property
Cp,gas	210.42	J/mol×K	353.78	Calculated Property
Cp,gas	246.98	J/mol×K	434.56	Calculated Property
Cp,gas	277.88	J/mol×K	515.33	Calculated Property
Cp,gas	303.96	J/mol×K	596.11	Calculated Property
Cp,gas	326.05	J/mol×K	676.89	Calculated Property
Cp,gas	344.98	J/mol×K	757.67	Calculated Property
Cp,gas	361.59	J/mol×K	838.44	Calculated Property
Cp,gas	376.69	J/mol×K	919.22	Calculated Property
Cp,gas	391.13	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Octopamine.

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
• Joback Method
• McGowan Method
• NIST Webbook

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.
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