Chemical Properties of Octopamine, N-acetyl-PFP

InChI

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

InChI Key

WTUDMLSCVPBFBE-UHFFFAOYSA-N

Formula

C16H11F10NO5

SMILES

CC(=O)NCC(OC(=O)C(F)(F)C(F)(F)F)c1ccc(OC(=O)C(F)(F)C(F)(F)F)cc1

Molecular Weight¹

487.25

Other Names

• p-Octopamine, N-acetate, PFP

• 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°	-2259.93	kJ/mol	Joback Calculated Property
ΔfH°gas	-2698.60	kJ/mol	Joback Calculated Property
ΔfusH°	40.74	kJ/mol	Joback Calculated Property
ΔvapH°	71.90	kJ/mol	Joback Calculated Property
log10WS	-5.34		Crippen Calculated Property
logPoct/wat	3.708		Crippen Calculated Property
McVol	256.670	ml/mol	McGowan Calculated Property
Pc	1439.16	kPa	Joback Calculated Property
Inp	[1559.00; 1559.00]
Inp	1559.00		NIST
Inp	1559.00		NIST
Inp	1559.00		NIST
Tboil	833.10	K	Joback Calculated Property
Tc	1023.99	K	Joback Calculated Property
Tfus	556.51	K	Joback Calculated Property
Vc	1.042	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[799.71; 845.87]	J/mol×K	[833.10; 1023.99]
Cp,gas	799.71	J/mol×K	833.10	Joback Calculated Property
Cp,gas	809.20	J/mol×K	864.92	Joback Calculated Property
Cp,gas	817.88	J/mol×K	896.73	Joback Calculated Property
Cp,gas	825.80	J/mol×K	928.55	Joback Calculated Property
Cp,gas	833.06	J/mol×K	960.36	Joback Calculated Property
Cp,gas	839.72	J/mol×K	992.18	Joback Calculated Property
Cp,gas	845.87	J/mol×K	1023.99	Joback Calculated Property

Similar Compounds

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

Sources

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

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