Chemical Properties of DL-Alanine, N-methyl-N-(3-chloro-2-methylpropoxycarbonyl)-, butyl ester

InChI

InChI=1S/C13H24ClNO4/c1-5-6-7-18-12(16)11(3)15(4)13(17)19-9-10(2)8-14/h10-11H,5-9H2,1-4H3

InChI Key

HEAIYRORUHUARO-UHFFFAOYSA-N

Formula

C13H24ClNO4

SMILES

CCCCOC(=O)C(C)N(C)C(=O)OCC(C)CCl

Molecular Weight¹

293.79

• 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°	-315.29	kJ/mol	Joback Calculated Property
ΔfH°gas	-760.02	kJ/mol	Joback Calculated Property
ΔfusH°	35.17	kJ/mol	Joback Calculated Property
ΔvapH°	68.50	kJ/mol	Joback Calculated Property
log10WS	-2.56		Crippen Calculated Property
logPoct/wat	2.661		Crippen Calculated Property
McVol	231.130	ml/mol	McGowan Calculated Property
Pc	1740.46	kPa	Joback Calculated Property
Inp	[1755.00; 1755.00]
Inp	1755.00		NIST
Inp	1755.00		NIST
Tboil	698.41	K	Joback Calculated Property
Tc	883.36	K	Joback Calculated Property
Tfus	412.98	K	Joback Calculated Property
Vc	0.867	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[639.05; 717.32]	J/mol×K	[698.41; 883.36]
Cp,gas	639.05	J/mol×K	698.41	Joback Calculated Property
Cp,gas	654.10	J/mol×K	729.24	Joback Calculated Property
Cp,gas	668.33	J/mol×K	760.06	Joback Calculated Property
Cp,gas	681.76	J/mol×K	790.89	Joback Calculated Property
Cp,gas	694.39	J/mol×K	821.71	Joback Calculated Property
Cp,gas	706.24	J/mol×K	852.54	Joback Calculated Property
Cp,gas	717.32	J/mol×K	883.36	Joback Calculated Property

Similar Compounds

Find more compounds similar to DL-Alanine, N-methyl-N-(3-chloro-2-methylpropoxycarbonyl)-, butyl ester.

Sources

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

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