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

InChI

InChI=1S/C12H22ClNO4/c1-5-6-17-11(15)10(3)14(4)12(16)18-8-9(2)7-13/h9-10H,5-8H2,1-4H3

InChI Key

CYXKJWYMIOQBIG-UHFFFAOYSA-N

Formula

C12H22ClNO4

SMILES

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

Molecular Weight¹

279.76

• 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	0.7136		Relay (1.0) Calculated Property
ΔfG°	-323.71	kJ/mol	Joback Calculated Property
ΔfH°gas	-945.05	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	32.58	kJ/mol	Joback Calculated Property
ΔvapH°	78.25	kJ/mol	Relay (1.0) Calculated Property
IE	9.08	eV	Relay (1.0) Calculated Property
log10WS	-2.21		Relay (1.0) Calculated Property
logPoct/wat	2.271		Crippen Calculated Property
McVol	217.040	ml/mol	McGowan Calculated Property
Pc	1888.72	kPa	Joback Calculated Property
Inp	[1660.00; 1660.00]
Inp	1660.00		NIST
Inp	1660.00		NIST
Tboil	561.93	K	Relay (1.0) Calculated Property
Tc	749.32	K	Relay (1.0) Calculated Property
Tfus	263.03	K	Relay (1.0) Calculated Property
Vc	0.791	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[585.23; 661.37]	J/mol×K	[675.53; 861.48]
Cp,gas	585.23	J/mol×K	675.53	Joback Calculated Property
Cp,gas	599.83	J/mol×K	706.52	Joback Calculated Property
Cp,gas	613.66	J/mol×K	737.51	Joback Calculated Property
Cp,gas	626.72	J/mol×K	768.50	Joback Calculated Property
Cp,gas	639.02	J/mol×K	799.49	Joback Calculated Property
Cp,gas	650.56	J/mol×K	830.49	Joback Calculated Property
Cp,gas	661.37	J/mol×K	861.48	Joback Calculated Property

Similar Compounds

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

Sources

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

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