Chemical Properties of Phe,TFE-PFP

InChI

InChI=1S/C14H11F8NO3/c15-12(16,17)7-26-10(24)9(6-8-4-2-1-3-5-8)23-11(25)13(18,19)14(20,21)22/h1-5,9H,6-7H2,(H,23,25)

InChI Key

POECKMJIDGHMCD-UHFFFAOYSA-N

Formula

C14H11F8NO3

SMILES

O=C(OCC(F)(F)F)C(Cc1ccccc1)NC(=O)C(F)(F)C(F)(F)F

Molecular Weight¹

393.23

Other Names

• Phenylalanine, TFE-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	0.6674		Relay (1.0) Calculated Property
ΔfG°	-1646.44	kJ/mol	Joback Calculated Property
ΔfH°gas	-2168.02	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	34.42	kJ/mol	Joback Calculated Property
ΔvapH°	85.93	kJ/mol	Relay (1.0) Calculated Property
IE	9.58	eV	Relay (1.0) Calculated Property
log10WS	-4.67		Relay (1.0) Calculated Property
logPoct/wat	3.017		Crippen Calculated Property
McVol	217.510	ml/mol	McGowan Calculated Property
Pc	1730.34	kPa	Joback Calculated Property
Inp	[1444.00; 1444.00]
Inp	1444.00		NIST
Inp	1444.00		NIST
Inp	1444.00		NIST
Tboil	534.22	K	Relay (1.0) Calculated Property
Tc	729.77	K	Relay (1.0) Calculated Property
Tfus	360.17	K	Relay (1.0) Calculated Property
Vc	0.784	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[639.37; 695.21]	J/mol×K	[710.76; 892.13]
Cp,gas	639.37	J/mol×K	710.76	Joback Calculated Property
Cp,gas	650.65	J/mol×K	740.99	Joback Calculated Property
Cp,gas	661.06	J/mol×K	771.22	Joback Calculated Property
Cp,gas	670.66	J/mol×K	801.45	Joback Calculated Property
Cp,gas	679.51	J/mol×K	831.67	Joback Calculated Property
Cp,gas	687.67	J/mol×K	861.90	Joback Calculated Property
Cp,gas	695.21	J/mol×K	892.13	Joback Calculated Property

Similar Compounds

Find more compounds similar to Phe,TFE-PFP.

Sources

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

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