Chemical Properties of Dopamine (CAS 51-61-6)

InChI

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

InChI Key

VYFYYTLLBUKUHU-UHFFFAOYSA-N

Formula

C8H11NO2

SMILES

NCCc1ccc(O)c(O)c1

Molecular Weight¹

153.18

CAS

51-61-6

Other Names

• 1,2-Benzenediol, 4-(2-aminoethyl)-
• Pyrocatechol, 4-(2-aminoethyl)-
• «alpha»-(3,4-Dihydroxyphenyl)-«beta»-aminoethane
• ASL 279
• Dopamin
• Hydroxytyramin
• Oxytyramine
• 2-(3,4-Dihydroxyphenyl)ethylamine
• 3-Hydroxytyramine
• 3,4-Dihydroxyphenethylamine
• 3,4-Dihydroxyphenylethylamine
• 4-(2-Aminoethyl)pyrocatechol
• KW-3-060
• 4-(2-Aminoethyl)catechol
• DA
• NSC 173182

• 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	[172.08; 394.34]	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			-4.96380e+01
Coefficient B			1.05600e+00
Coefficient C			-9.98720e-04
Coefficient D			3.86700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	172.08	J/mol×K	273.00	Calculated Property
Cp,gas	216.08	J/mol×K	353.78	Calculated Property
Cp,gas	252.39	J/mol×K	434.56	Calculated Property
Cp,gas	282.25	J/mol×K	515.33	Calculated Property
Cp,gas	306.88	J/mol×K	596.11	Calculated Property
Cp,gas	327.49	J/mol×K	676.89	Calculated Property
Cp,gas	345.33	J/mol×K	757.67	Calculated Property
Cp,gas	361.60	J/mol×K	838.44	Calculated Property
Cp,gas	377.53	J/mol×K	919.22	Calculated Property
Cp,gas	394.34	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Dopamine.

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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