Chemical Properties of l-Phenylalanine, N-(2-chlorobenzoyl)-, methyl ester

InChI

InChI=1S/C17H16ClNO3/c1-22-17(21)15(11-12-7-3-2-4-8-12)19-16(20)13-9-5-6-10-14(13)18/h2-10,15H,11H2,1H3,(H,19,20)

InChI Key

SBBIHHYZJMQAMT-UHFFFAOYSA-N

Formula

C17H16ClNO3

SMILES

COC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1Cl

Molecular Weight¹

317.77

• 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°	19.63	kJ/mol	Joback Calculated Property
ΔfH°gas	-257.55	kJ/mol	Joback Calculated Property
ΔfusH°	37.64	kJ/mol	Joback Calculated Property
ΔvapH°	84.98	kJ/mol	Joback Calculated Property
log10WS	-4.35		Crippen Calculated Property
logPoct/wat	2.854		Crippen Calculated Property
McVol	234.100	ml/mol	McGowan Calculated Property
Pc	2246.13	kPa	Joback Calculated Property
Inp	[2384.00; 2384.00]
Inp	2384.00		NIST
Inp	2384.00		NIST
Tboil	864.02	K	Joback Calculated Property
Tc	1103.34	K	Joback Calculated Property
Tfus	536.38	K	Joback Calculated Property
Vc	0.879	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[661.97; 718.00]	J/mol×K	[864.02; 1103.34]
Cp,gas	661.97	J/mol×K	864.02	Joback Calculated Property
Cp,gas	674.10	J/mol×K	903.91	Joback Calculated Property
Cp,gas	685.03	J/mol×K	943.79	Joback Calculated Property
Cp,gas	694.83	J/mol×K	983.68	Joback Calculated Property
Cp,gas	703.54	J/mol×K	1023.56	Joback Calculated Property
Cp,gas	711.25	J/mol×K	1063.45	Joback Calculated Property
Cp,gas	718.00	J/mol×K	1103.34	Joback Calculated Property

Similar Compounds

Find more compounds similar to l-Phenylalanine, N-(2-chlorobenzoyl)-, methyl ester.

Sources

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

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