Chemical Properties of 3-Hydroxytyramine, N,O,O'-tris(trifluoroacetyl)-

InChI

InChI=1S/C14H8F9NO5/c15-12(16,17)9(25)24-4-3-6-1-2-7(28-10(26)13(18,19)20)8(5-6)29-11(27)14(21,22)23/h1-2,5H,3-4H2,(H,24,25)

InChI Key

ROWYZKLUWDEHTH-UHFFFAOYSA-N

Formula

C14H8F9NO5

SMILES

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

Molecular Weight¹

441.20

Other Names

• Dopamine, 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°	-2091.99	kJ/mol	Joback Calculated Property
ΔfH°gas	-2458.65	kJ/mol	Joback Calculated Property
ΔfusH°	43.03	kJ/mol	Joback Calculated Property
ΔvapH°	70.61	kJ/mol	Joback Calculated Property
log10WS	-4.69		Crippen Calculated Property
logPoct/wat	2.843		Crippen Calculated Property
McVol	226.720	ml/mol	McGowan Calculated Property
Pc	1678.28	kPa	Joback Calculated Property
Inp	[1485.00; 1575.00]
Inp	1575.00		NIST
Inp	1530.00		NIST
Inp	1485.00		NIST
Inp	1575.00		NIST
Inp	1530.00		NIST
Tboil	796.72	K	Joback Calculated Property
Tc	983.13	K	Joback Calculated Property
Tfus	558.48	K	Joback Calculated Property
Vc	0.929	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[680.34; 723.19]	J/mol×K	[796.72; 983.13]
Cp,gas	680.34	J/mol×K	796.72	Joback Calculated Property
Cp,gas	689.23	J/mol×K	827.79	Joback Calculated Property
Cp,gas	697.35	J/mol×K	858.86	Joback Calculated Property
Cp,gas	704.76	J/mol×K	889.93	Joback Calculated Property
Cp,gas	711.50	J/mol×K	920.99	Joback Calculated Property
Cp,gas	717.63	J/mol×K	952.06	Joback Calculated Property
Cp,gas	723.19	J/mol×K	983.13	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3-Hydroxytyramine, N,O,O'-tris(trifluoroacetyl)-.

Sources

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

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