Chemical Properties of l-Phenylalanine-, N-(p-toluoyl)-, methyl ester

InChI

InChI=1S/C18H19NO3/c1-13-8-10-15(11-9-13)17(20)19-16(18(21)22-2)12-14-6-4-3-5-7-14/h3-11,16H,12H2,1-2H3,(H,19,20)

InChI Key

PSSDDHSCEICJEX-UHFFFAOYSA-N

Formula

C18H19NO3

SMILES

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

Molecular Weight¹

297.35

• 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°	39.98	kJ/mol	Joback Calculated Property
ΔfH°gas	-262.45	kJ/mol	Joback Calculated Property
ΔfusH°	36.03	kJ/mol	Joback Calculated Property
ΔvapH°	82.83	kJ/mol	Joback Calculated Property
log10WS	-4.14		Crippen Calculated Property
logPoct/wat	2.509		Crippen Calculated Property
McVol	235.950	ml/mol	McGowan Calculated Property
Pc	2125.60	kPa	Joback Calculated Property
Inp	[2363.00; 2363.00]
Inp	2363.00		NIST
Inp	2363.00		NIST
Tboil	849.47	K	Joback Calculated Property
Tc	1082.95	K	Joback Calculated Property
Tfus	517.73	K	Joback Calculated Property
Vc	0.886	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[695.62; 760.21]	J/mol×K	[849.47; 1082.95]
Cp,gas	695.62	J/mol×K	849.47	Joback Calculated Property
Cp,gas	709.30	J/mol×K	888.38	Joback Calculated Property
Cp,gas	721.74	J/mol×K	927.30	Joback Calculated Property
Cp,gas	732.99	J/mol×K	966.21	Joback Calculated Property
Cp,gas	743.11	J/mol×K	1005.12	Joback Calculated Property
Cp,gas	752.16	J/mol×K	1044.03	Joback Calculated Property
Cp,gas	760.21	J/mol×K	1082.95	Joback Calculated Property

Similar Compounds

Find more compounds similar to l-Phenylalanine-, N-(p-toluoyl)-, methyl ester.

Sources

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

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