Chemical Properties of Dopamine, N-acetyl-TFA

InChI

InChI=1S/C14H11F6NO5/c1-7(22)21-5-4-8-2-3-9(25-11(23)13(15,16)17)10(6-8)26-12(24)14(18,19)20/h2-3,6H,4-5H2,1H3,(H,21,22)

InChI Key

SFNUCMZHIIYINK-UHFFFAOYSA-N

Formula

C14H11F6NO5

SMILES

CC(=O)NCCc1ccc(OC(=O)C(F)(F)F)c(OC(=O)C(F)(F)F)c1

Molecular Weight¹

387.23

Other Names

• Dopamine, N-acetate, TFA

• 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).
• 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).
• I_np : Non-polar retention indices.
• 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
ΔfG°	-1510.40	kJ/mol	Joback Calculated Property
ΔfH°gas	-1861.57	kJ/mol	Joback Calculated Property
ΔfusH°	41.20	kJ/mol	Joback Calculated Property
ΔvapH°	74.36	kJ/mol	Joback Calculated Property
log10WS	-4.03		Crippen Calculated Property
logPoct/wat	2.301		Crippen Calculated Property
McVol	221.410	ml/mol	McGowan Calculated Property
Pc	1849.92	kPa	Joback Calculated Property
Inp	[1588.00; 1588.00]
Inp	1588.00		NIST
Inp	1588.00		NIST
Inp	1588.00		NIST
Tboil	802.14	K	Joback Calculated Property
Tc	995.74	K	Joback Calculated Property
Tfus	554.29	K	Joback Calculated Property
Vc	0.886	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[655.28; 702.55]	J/mol×K	[802.14; 995.74]
Cp,gas	655.28	J/mol×K	802.14	Joback Calculated Property
Cp,gas	665.07	J/mol×K	834.41	Joback Calculated Property
Cp,gas	674.05	J/mol×K	866.67	Joback Calculated Property
Cp,gas	682.25	J/mol×K	898.94	Joback Calculated Property
Cp,gas	689.70	J/mol×K	931.21	Joback Calculated Property
Cp,gas	696.46	J/mol×K	963.47	Joback Calculated Property
Cp,gas	702.55	J/mol×K	995.74	Joback Calculated Property

Similar Compounds

Find more compounds similar to Dopamine, N-acetyl-TFA.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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