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

InChI

InChI=1S/C12H15NO3/c1-8-4-6-10(7-5-8)11(14)13-9(2)12(15)16-3/h4-7,9H,1-3H3,(H,13,14)

InChI Key

CTLUSWRBHZCLEM-UHFFFAOYSA-N

Formula

C12H15NO3

SMILES

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

Molecular Weight¹

221.25

• 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°	-122.95	kJ/mol	Joback Calculated Property
ΔfH°gas	-375.14	kJ/mol	Joback Calculated Property
ΔfusH°	26.45	kJ/mol	Joback Calculated Property
ΔvapH°	67.19	kJ/mol	Joback Calculated Property
log10WS	-2.52		Crippen Calculated Property
logPoct/wat	1.286		Crippen Calculated Property
McVol	175.170	ml/mol	McGowan Calculated Property
Pc	2701.41	kPa	Joback Calculated Property
Inp	[1762.00; 1762.00]
Inp	1762.00		NIST
Inp	1762.00		NIST
Tboil	685.51	K	Joback Calculated Property
Tc	902.99	K	Joback Calculated Property
Tfus	423.69	K	Joback Calculated Property
Vc	0.658	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[462.51; 530.27]	J/mol×K	[685.51; 902.99]
Cp,gas	462.51	J/mol×K	685.51	Joback Calculated Property
Cp,gas	476.01	J/mol×K	721.76	Joback Calculated Property
Cp,gas	488.60	J/mol×K	758.00	Joback Calculated Property
Cp,gas	500.31	J/mol×K	794.25	Joback Calculated Property
Cp,gas	511.14	J/mol×K	830.49	Joback Calculated Property
Cp,gas	521.12	J/mol×K	866.74	Joback Calculated Property
Cp,gas	530.27	J/mol×K	902.99	Joback Calculated Property

Similar Compounds

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

Sources

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

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