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

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.7534		Relay (1.0) Calculated Property
ΔfG°	-315.29	kJ/mol	Joback Calculated Property
ΔfH°gas	-964.46	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	35.17	kJ/mol	Joback Calculated Property
ΔvapH°	82.18	kJ/mol	Relay (1.0) Calculated Property
IE	9.02	eV	Relay (1.0) Calculated Property
log10WS	-2.57		Relay (1.0) 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	569.01	K	Relay (1.0) Calculated Property
Tc	760.25	K	Relay (1.0) Calculated Property
Tfus	254.58	K	Relay (1.0) Calculated Property
Vc	0.845	m3/kmol	Relay (1.0) 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

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.