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

InChI

InChI=1S/C18H34ClNO4/c1-5-6-7-8-9-10-11-12-23-17(21)16(3)20(4)18(22)24-14-15(2)13-19/h15-16H,5-14H2,1-4H3

InChI Key

ZBJLSHKQGQNBMB-UHFFFAOYSA-N

Formula

C18H34ClNO4

SMILES

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

Molecular Weight¹

363.92

• 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	0.9376		Relay (1.0) Calculated Property
ΔfG°	-273.19	kJ/mol	Joback Calculated Property
ΔfH°gas	-1061.83	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	48.12	kJ/mol	Joback Calculated Property
ΔvapH°	99.73	kJ/mol	Relay (1.0) Calculated Property
IE	9.00	eV	Relay (1.0) Calculated Property
log10WS	-4.49		Relay (1.0) Calculated Property
logPoct/wat	4.612		Crippen Calculated Property
McVol	301.580	ml/mol	McGowan Calculated Property
Pc	1208.15	kPa	Joback Calculated Property
Inp	[2208.00; 2208.00]
Inp	2208.00		NIST
Inp	2208.00		NIST
Tboil	608.08	K	Relay (1.0) Calculated Property
Tc	809.67	K	Relay (1.0) Calculated Property
Tfus	278.95	K	Relay (1.0) Calculated Property
Vc	1.118	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[924.62; 1010.62]	J/mol×K	[812.81; 1000.66]
Cp,gas	924.62	J/mol×K	812.81	Joback Calculated Property
Cp,gas	941.47	J/mol×K	844.12	Joback Calculated Property
Cp,gas	957.29	J/mol×K	875.43	Joback Calculated Property
Cp,gas	972.09	J/mol×K	906.73	Joback Calculated Property
Cp,gas	985.90	J/mol×K	938.04	Joback Calculated Property
Cp,gas	998.73	J/mol×K	969.35	Joback Calculated Property
Cp,gas	1010.62	J/mol×K	1000.66	Joback Calculated Property

Similar Compounds

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

Sources

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

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