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

InChI

InChI=1S/C20H38ClNO4/c1-4-5-6-7-8-9-10-11-12-13-16-25-19(23)18(2)22(3)20(24)26-17-14-15-21/h18H,4-17H2,1-3H3

InChI Key

SUKRQIWGSOVGMY-UHFFFAOYSA-N

Formula

C20H38ClNO4

SMILES

CCCCCCCCCCCCOC(=O)C(C)N(C)C(=O)OCCCCl

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	1.0537		Relay (1.0) Calculated Property
ΔfG°	-253.91	kJ/mol	Joback Calculated Property
ΔfH°gas	-1070.32	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	56.82	kJ/mol	Joback Calculated Property
ΔvapH°	111.53	kJ/mol	Relay (1.0) Calculated Property
IE	9.17	eV	Relay (1.0) Calculated Property
log10WS	-5.20		Relay (1.0) Calculated Property
logPoct/wat	5.536		Crippen Calculated Property
McVol	329.760	ml/mol	McGowan Calculated Property
Pc	1056.20	kPa	Joback Calculated Property
Inp	[2571.00; 2571.00]
Inp	2571.00		NIST
Inp	2571.00		NIST
Tboil	622.69	K	Relay (1.0) Calculated Property
Tc	827.02	K	Relay (1.0) Calculated Property
Tfus	294.92	K	Relay (1.0) Calculated Property
Vc	1.234	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1044.60; 1133.16]	J/mol×K	[859.01; 1052.30]
Cp,gas	1044.60	J/mol×K	859.01	Joback Calculated Property
Cp,gas	1062.13	J/mol×K	891.23	Joback Calculated Property
Cp,gas	1078.52	J/mol×K	923.44	Joback Calculated Property
Cp,gas	1093.79	J/mol×K	955.66	Joback Calculated Property
Cp,gas	1107.96	J/mol×K	987.87	Joback Calculated Property
Cp,gas	1121.08	J/mol×K	1020.09	Joback Calculated Property
Cp,gas	1133.16	J/mol×K	1052.30	Joback Calculated Property

Similar Compounds

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

Sources

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

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