Chemical Properties of Tyramine, N-acetate, PFP

InChI

InChI=1S/C13H12F5NO3/c1-8(20)19-7-6-9-2-4-10(5-3-9)22-11(21)12(14,15)13(16,17)18/h2-5H,6-7H2,1H3,(H,19,20)

InChI Key

RTGQZZWDYOIRTD-UHFFFAOYSA-N

Formula

C13H12F5NO3

SMILES

CC(=O)NCCc1ccc(OC(=O)C(F)(F)C(F)(F)F)cc1

Molecular Weight¹

325.23

• 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	0.6972		Relay (1.0) Calculated Property
ΔfG°	-1080.46	kJ/mol	Joback Calculated Property
ΔfH°gas	-1551.22	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	33.13	kJ/mol	Joback Calculated Property
ΔvapH°	86.32	kJ/mol	Relay (1.0) Calculated Property
IE	9.07	eV	Relay (1.0) Calculated Property
log10WS	-3.90		Relay (1.0) Calculated Property
logPoct/wat	2.468		Crippen Calculated Property
McVol	198.110	ml/mol	McGowan Calculated Property
Pc	2038.23	kPa	Joback Calculated Property
Inp	[1547.00; 1547.00]
Inp	1547.00		NIST
Inp	1547.00		NIST
Tboil	556.56	K	Relay (1.0) Calculated Property
Tc	734.93	K	Relay (1.0) Calculated Property
Tfus	331.05	K	Relay (1.0) Calculated Property
Vc	0.707	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[559.12; 617.23]	J/mol×K	[698.72; 889.95]
Cp,gas	559.12	J/mol×K	698.72	Joback Calculated Property
Cp,gas	570.76	J/mol×K	730.59	Joback Calculated Property
Cp,gas	581.56	J/mol×K	762.46	Joback Calculated Property
Cp,gas	591.55	J/mol×K	794.34	Joback Calculated Property
Cp,gas	600.80	J/mol×K	826.21	Joback Calculated Property
Cp,gas	609.34	J/mol×K	858.08	Joback Calculated Property
Cp,gas	617.23	J/mol×K	889.95	Joback Calculated Property

Similar Compounds

Find more compounds similar to Tyramine, N-acetate, PFP.

Sources

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

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