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

• 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).
• 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

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[319.23; 371.37]	J/mol×K	[642.89; 888.16]
Cp,gas	319.23	J/mol×K	642.89	Joback Calculated Property
Cp,gas	329.10	J/mol×K	683.77	Joback Calculated Property
Cp,gas	338.30	J/mol×K	724.65	Joback Calculated Property
Cp,gas	346.96	J/mol×K	765.53	Joback Calculated Property
Cp,gas	355.25	J/mol×K	806.41	Joback Calculated Property
Cp,gas	363.34	J/mol×K	847.28	Joback Calculated Property
Cp,gas	371.37	J/mol×K	888.16	Joback Calculated Property

Similar Compounds

Find more compounds similar to Dopamine.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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