Chemical Properties of Phe, HFIP-PFP

InChI

InChI=1S/C15H10F11NO3/c16-12(17,15(24,25)26)11(29)27-8(6-7-4-2-1-3-5-7)9(28)30-10(13(18,19)20)14(21,22)23/h1-5,8,10H,6H2,(H,27,29)

InChI Key

ZJQYABQTYMRQJI-UHFFFAOYSA-N

Formula

C15H10F11NO3

SMILES

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

Molecular Weight¹

461.23

Other Names

• Phenylalanine, HFIP-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°	-2222.05	kJ/mol	Joback Calculated Property
ΔfH°gas	-2623.08	kJ/mol	Joback Calculated Property
ΔfusH°	35.31	kJ/mol	Joback Calculated Property
ΔvapH°	58.65	kJ/mol	Joback Calculated Property
log10WS	-5.56		Crippen Calculated Property
logPoct/wat	3.948		Crippen Calculated Property
McVol	236.910	ml/mol	McGowan Calculated Property
Pc	1470.23	kPa	Joback Calculated Property
Inp	[1091.00; 1091.00]
Inp	1091.00		NIST
Inp	1091.00		NIST
Tboil	727.78	K	Joback Calculated Property
Tc	903.03	K	Joback Calculated Property
Tfus	446.15	K	Joback Calculated Property
Vc	0.975	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[718.82; 772.21]	J/mol×K	[727.78; 903.03]
Cp,gas	718.82	J/mol×K	727.78	Joback Calculated Property
Cp,gas	729.66	J/mol×K	756.99	Joback Calculated Property
Cp,gas	739.62	J/mol×K	786.20	Joback Calculated Property
Cp,gas	748.79	J/mol×K	815.41	Joback Calculated Property
Cp,gas	757.23	J/mol×K	844.62	Joback Calculated Property
Cp,gas	765.01	J/mol×K	873.82	Joback Calculated Property
Cp,gas	772.21	J/mol×K	903.03	Joback Calculated Property

Similar Compounds

Find more compounds similar to Phe, HFIP-PFP.

Sources

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

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