Chemical Properties of Dopamine, N-acetyl-PFP

InChI

InChI=1S/C16H11F10NO5/c1-7(28)27-5-4-8-2-3-9(31-11(29)13(17,18)15(21,22)23)10(6-8)32-12(30)14(19,20)16(24,25)26/h2-3,6H,4-5H2,1H3,(H,27,28)

InChI Key

GVHOVUNEKLULSA-UHFFFAOYSA-N

Formula

C16H11F10NO5

SMILES

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

Molecular Weight¹

487.25

Other Names

• Dopamine, N-acetate, PFP

• 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).
• 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
ω	0.8866		Relay (1.0) Calculated Property
ΔfG°	-2267.12	kJ/mol	Joback Calculated Property
ΔfH°gas	-2911.85	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	43.87	kJ/mol	Joback Calculated Property
ΔvapH°	100.74	kJ/mol	Relay (1.0) Calculated Property
IE	9.32	eV	Relay (1.0) Calculated Property
log10WS	-6.03		Relay (1.0) Calculated Property
logPoct/wat	3.571		Crippen Calculated Property
McVol	256.670	ml/mol	McGowan Calculated Property
Pc	1414.37	kPa	Joback Calculated Property
Inp	[1616.00; 1616.00]
Inp	1616.00		NIST
Inp	1616.00		NIST
Inp	1616.00		NIST
Tboil	577.21	K	Relay (1.0) Calculated Property
Tc	769.39	K	Relay (1.0) Calculated Property
Tfus	359.42	K	Relay (1.0) Calculated Property
Vc	0.958	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[797.53; 843.37]	J/mol×K	[838.52; 1029.51]
Cp,gas	797.53	J/mol×K	838.52	Joback Calculated Property
Cp,gas	806.92	J/mol×K	870.35	Joback Calculated Property
Cp,gas	815.52	J/mol×K	902.18	Joback Calculated Property
Cp,gas	823.39	J/mol×K	934.02	Joback Calculated Property
Cp,gas	830.60	J/mol×K	965.85	Joback Calculated Property
Cp,gas	837.24	J/mol×K	997.68	Joback Calculated Property
Cp,gas	843.37	J/mol×K	1029.51	Joback Calculated Property

Similar Compounds

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

Sources

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

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