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

InChI

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

InChI Key

LEBSCEMDKLYKTO-UHFFFAOYSA-N

Formula

C12H15NO3

SMILES

COC(=O)C(C)N=C(O)c1cccc(C)c1

Molecular Weight¹

221.25

• Δ_fH°_gas : Enthalpy of formation 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-395.83	kJ/mol	Joback Calculated Property
ΔvapH°	74.09	kJ/mol	Joback Calculated Property
log10WS	-2.07		Crippen Calculated Property
logPoct/wat	1.861		Crippen Calculated Property
McVol	175.170	ml/mol	McGowan Calculated Property
Pc	2480.12	kPa	Joback Calculated Property
Inp	[1745.00; 1745.00]
Inp	1745.00		NIST
Inp	1745.00		NIST
Tboil	750.21	K	Joback Calculated Property
Tc	963.94	K	Joback Calculated Property

Similar Compounds

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

Sources

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

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