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

InChI

InChI=1S/C20H38ClNO4/c1-5-6-7-8-9-10-11-12-13-14-25-19(23)18(3)22(4)20(24)26-16-17(2)15-21/h17-18H,5-16H2,1-4H3

InChI Key

RQRHCGQPSKNHDN-UHFFFAOYSA-N

Formula

C20H38ClNO4

SMILES

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

Molecular Weight¹

391.97

• 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	1.0097		Relay (1.0) Calculated Property
ΔfG°	-256.35	kJ/mol	Joback Calculated Property
ΔfH°gas	-1103.70	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	53.30	kJ/mol	Joback Calculated Property
ΔvapH°	107.90	kJ/mol	Relay (1.0) Calculated Property
IE	9.06	eV	Relay (1.0) Calculated Property
log10WS	-5.18		Relay (1.0) Calculated Property
logPoct/wat	5.392		Crippen Calculated Property
McVol	329.760	ml/mol	McGowan Calculated Property
Pc	1061.71	kPa	Joback Calculated Property
Inp	[2400.00; 2400.00]
Inp	2400.00		NIST
Inp	2400.00		NIST
Tboil	621.93	K	Relay (1.0) Calculated Property
Tc	825.93	K	Relay (1.0) Calculated Property
Tfus	288.13	K	Relay (1.0) Calculated Property
Vc	1.228	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1045.07; 1133.57]	J/mol×K	[858.57; 1052.25]
Cp,gas	1045.07	J/mol×K	858.57	Joback Calculated Property
Cp,gas	1062.63	J/mol×K	890.85	Joback Calculated Property
Cp,gas	1079.03	J/mol×K	923.13	Joback Calculated Property
Cp,gas	1094.29	J/mol×K	955.41	Joback Calculated Property
Cp,gas	1108.45	J/mol×K	987.69	Joback Calculated Property
Cp,gas	1121.53	J/mol×K	1019.97	Joback Calculated Property
Cp,gas	1133.57	J/mol×K	1052.25	Joback Calculated Property

Similar Compounds

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

Sources

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

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