Chemical Properties of l-Phenylalanine, N-(4-fluorobenzoyl)-, methyl ester

InChI

InChI=1S/C17H16FNO3/c1-22-17(21)15(11-12-5-3-2-4-6-12)19-16(20)13-7-9-14(18)10-8-13/h2-10,15H,11H2,1H3,(H,19,20)

InChI Key

NUEPYHOVUXEGDD-UHFFFAOYSA-N

Formula

C17H16FNO3

SMILES

COC(=O)C(Cc1ccccc1)NC(=O)c1ccc(F)cc1

Molecular Weight¹

301.31

• 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	0.6703		Relay (1.0) Calculated Property
ΔfG°	-163.25	kJ/mol	Joback Calculated Property
ΔfH°gas	-540.53	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	36.52	kJ/mol	Joback Calculated Property
ΔvapH°	110.51	kJ/mol	Relay (1.0) Calculated Property
IE	8.71	eV	Relay (1.0) Calculated Property
log10WS	-3.85		Relay (1.0) Calculated Property
logPoct/wat	2.340		Crippen Calculated Property
McVol	223.630	ml/mol	McGowan Calculated Property
Pc	2229.20	kPa	Joback Calculated Property
Inp	[2196.00; 2196.00]
Inp	2196.00		NIST
Inp	2196.00		NIST
Tboil	637.55	K	Relay (1.0) Calculated Property
Tc	903.30	K	Relay (1.0) Calculated Property
Tfus	358.91	K	Relay (1.0) Calculated Property
Vc	0.785	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[647.33; 708.50]	J/mol×K	[825.86; 1054.31]
Cp,gas	647.33	J/mol×K	825.86	Joback Calculated Property
Cp,gas	660.26	J/mol×K	863.94	Joback Calculated Property
Cp,gas	672.02	J/mol×K	902.01	Joback Calculated Property
Cp,gas	682.68	J/mol×K	940.09	Joback Calculated Property
Cp,gas	692.27	J/mol×K	978.16	Joback Calculated Property
Cp,gas	700.86	J/mol×K	1016.24	Joback Calculated Property
Cp,gas	708.50	J/mol×K	1054.31	Joback Calculated Property

Similar Compounds

Find more compounds similar to l-Phenylalanine, N-(4-fluorobenzoyl)-, methyl ester.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.