Chemical Properties of 2-Amino-3-(3-chloro-4-methyloxy-phenyl)propanoic acid, methyl ester

InChI

InChI=1S/C11H14ClNO3/c1-15-10-4-3-7(5-8(10)12)6-9(13)11(14)16-2/h3-5,9H,6,13H2,1-2H3

InChI Key

QUBSTZJVDZUTFR-UHFFFAOYSA-N

Formula

C11H14ClNO3

SMILES

COC(=O)C(N)Cc1ccc(OC)c(Cl)c1

Molecular Weight¹

243.69

Other Names

• Methyl 2-amino-3-(3-chloro-4-methoxyphenyl)propanoate

• 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°	-151.95	kJ/mol	Joback Calculated Property
ΔfH°gas	-421.03	kJ/mol	Joback Calculated Property
ΔfusH°	27.36	kJ/mol	Joback Calculated Property
ΔvapH°	69.88	kJ/mol	Joback Calculated Property
log10WS	-2.32		Crippen Calculated Property
logPoct/wat	1.391		Crippen Calculated Property
McVol	177.620	ml/mol	McGowan Calculated Property
Pc	2724.01	kPa	Joback Calculated Property
Inp	[1900.00; 1900.00]
Inp	1900.00		NIST
Inp	1900.00		NIST
Tboil	695.95	K	Joback Calculated Property
Tc	919.68	K	Joback Calculated Property
Tfus	457.76	K	Joback Calculated Property
Vc	0.657	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[454.71; 517.86]	J/mol×K	[695.95; 919.68]
Cp,gas	454.71	J/mol×K	695.95	Joback Calculated Property
Cp,gas	467.37	J/mol×K	733.24	Joback Calculated Property
Cp,gas	479.18	J/mol×K	770.53	Joback Calculated Property
Cp,gas	490.13	J/mol×K	807.81	Joback Calculated Property
Cp,gas	500.23	J/mol×K	845.10	Joback Calculated Property
Cp,gas	509.48	J/mol×K	882.39	Joback Calculated Property
Cp,gas	517.86	J/mol×K	919.68	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Amino-3-(3-chloro-4-methyloxy-phenyl)propanoic acid, methyl ester.

Sources

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

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