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

InChI

InChI=1S/C11H20ClNO4/c1-4-7-16-10(14)9(2)13(3)11(15)17-8-5-6-12/h9H,4-8H2,1-3H3

InChI Key

RVUFJTLRBZSEJN-UHFFFAOYSA-N

Formula

C11H20ClNO4

SMILES

CCCOC(=O)C(C)N(C)C(=O)OCCCCl

Molecular Weight¹

265.73

• 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	0.7253		Relay (1.0) Calculated Property
ΔfG°	-329.69	kJ/mol	Joback Calculated Property
ΔfH°gas	-890.93	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	33.51	kJ/mol	Joback Calculated Property
ΔvapH°	77.20	kJ/mol	Relay (1.0) Calculated Property
IE	9.23	eV	Relay (1.0) Calculated Property
log10WS	-1.85		Relay (1.0) Calculated Property
logPoct/wat	2.025		Crippen Calculated Property
McVol	202.950	ml/mol	McGowan Calculated Property
Pc	2041.91	kPa	Joback Calculated Property
Inp	[1726.00; 1726.00]
Inp	1726.00		NIST
Inp	1726.00		NIST
Tboil	555.50	K	Relay (1.0) Calculated Property
Tc	742.73	K	Relay (1.0) Calculated Property
Tfus	259.52	K	Relay (1.0) Calculated Property
Vc	0.743	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[532.24; 604.84]	J/mol×K	[653.09; 837.48]
Cp,gas	532.24	J/mol×K	653.09	Joback Calculated Property
Cp,gas	546.08	J/mol×K	683.82	Joback Calculated Property
Cp,gas	559.22	J/mol×K	714.55	Joback Calculated Property
Cp,gas	571.66	J/mol×K	745.29	Joback Calculated Property
Cp,gas	583.40	J/mol×K	776.02	Joback Calculated Property
Cp,gas	594.46	J/mol×K	806.75	Joback Calculated Property
Cp,gas	604.84	J/mol×K	837.48	Joback Calculated Property

Similar Compounds

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

Sources

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

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