Chemical Properties of DL-Alanine, N-methyl-N-(3-chloropropoxycarbonyl)-, decyl ester

InChI

InChI=1S/C18H34ClNO4/c1-4-5-6-7-8-9-10-11-14-23-17(21)16(2)20(3)18(22)24-15-12-13-19/h16H,4-15H2,1-3H3

InChI Key

SNBHOYQCOKANKM-UHFFFAOYSA-N

Formula

C18H34ClNO4

SMILES

CCCCCCCCCCOC(=O)C(C)N(C)C(=O)OCCCCl

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	0.9826		Relay (1.0) Calculated Property
ΔfG°	-270.75	kJ/mol	Joback Calculated Property
ΔfH°gas	-1028.63	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	51.64	kJ/mol	Joback Calculated Property
ΔvapH°	103.53	kJ/mol	Relay (1.0) Calculated Property
IE	9.12	eV	Relay (1.0) Calculated Property
log10WS	-4.53		Relay (1.0) Calculated Property
logPoct/wat	4.756		Crippen Calculated Property
McVol	301.580	ml/mol	McGowan Calculated Property
Pc	1201.46	kPa	Joback Calculated Property
Inp	[2373.00; 2373.00]
Inp	2373.00		NIST
Inp	2373.00		NIST
Tboil	608.97	K	Relay (1.0) Calculated Property
Tc	812.14	K	Relay (1.0) Calculated Property
Tfus	286.36	K	Relay (1.0) Calculated Property
Vc	1.123	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[924.11; 1009.86]	J/mol×K	[813.25; 1000.05]
Cp,gas	924.11	J/mol×K	813.25	Joback Calculated Property
Cp,gas	940.88	J/mol×K	844.38	Joback Calculated Property
Cp,gas	956.62	J/mol×K	875.52	Joback Calculated Property
Cp,gas	971.37	J/mol×K	906.65	Joback Calculated Property
Cp,gas	985.15	J/mol×K	937.79	Joback Calculated Property
Cp,gas	997.97	J/mol×K	968.92	Joback Calculated Property
Cp,gas	1009.86	J/mol×K	1000.05	Joback Calculated Property

Similar Compounds

Find more compounds similar to DL-Alanine, N-methyl-N-(3-chloropropoxycarbonyl)-, decyl ester.

Sources

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

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