Chemical Properties of l-Phenylalanine, n-pentafluoropropionyl-, propyl ester

InChI

InChI=1S/C15H16F5NO3/c1-2-8-24-12(22)11(9-10-6-4-3-5-7-10)21-13(23)14(16,17)15(18,19)20/h3-7,11H,2,8-9H2,1H3,(H,21,23)

InChI Key

ZBHDETAIWKHOPT-UHFFFAOYSA-N

Formula

C15H16F5NO3

SMILES

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

Molecular Weight¹

353.28

• 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°	-1056.43	kJ/mol	Joback Calculated Property
ΔfH°gas	-1423.64	kJ/mol	Joback Calculated Property
ΔfusH°	35.18	kJ/mol	Joback Calculated Property
ΔvapH°	66.53	kJ/mol	Joback Calculated Property
log10WS	-4.12		Crippen Calculated Property
logPoct/wat	2.865		Crippen Calculated Property
McVol	226.290	ml/mol	McGowan Calculated Property
Pc	1759.49	kPa	Joback Calculated Property
Inp	[1622.00; 1622.00]
Inp	1622.00		NIST
Inp	1622.00		NIST
Tboil	739.06	K	Joback Calculated Property
Tc	930.03	K	Joback Calculated Property
Tfus	452.77	K	Joback Calculated Property
Vc	0.894	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[666.33; 729.95]	J/mol×K	[739.06; 930.03]
Cp,gas	666.33	J/mol×K	739.06	Joback Calculated Property
Cp,gas	679.05	J/mol×K	770.89	Joback Calculated Property
Cp,gas	690.84	J/mol×K	802.72	Joback Calculated Property
Cp,gas	701.76	J/mol×K	834.54	Joback Calculated Property
Cp,gas	711.88	J/mol×K	866.37	Joback Calculated Property
Cp,gas	721.26	J/mol×K	898.20	Joback Calculated Property
Cp,gas	729.95	J/mol×K	930.03	Joback Calculated Property

Similar Compounds

Find more compounds similar to l-Phenylalanine, n-pentafluoropropionyl-, propyl ester.

Sources

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

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