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

InChI

InChI=1S/C21H40ClNO4/c1-4-5-6-7-8-9-10-11-12-13-14-17-26-20(24)19(2)23(3)21(25)27-18-15-16-22/h19H,4-18H2,1-3H3

InChI Key

BGDVBOWYHSWLDM-UHFFFAOYSA-N

Formula

C21H40ClNO4

SMILES

CCCCCCCCCCCCCOC(=O)C(C)N(C)C(=O)OCCCCl

Molecular Weight¹

406.00

• 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).
• 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
ΔfG°	-245.49	kJ/mol	Joback Calculated Property
ΔfH°gas	-919.86	kJ/mol	Joback Calculated Property
ΔfusH°	59.41	kJ/mol	Joback Calculated Property
ΔvapH°	86.69	kJ/mol	Joback Calculated Property
log10WS	-6.15		Crippen Calculated Property
logPoct/wat	5.926		Crippen Calculated Property
McVol	343.850	ml/mol	McGowan Calculated Property
Pc	993.25	kPa	Joback Calculated Property
Inp	[2670.00; 2670.00]
Inp	2670.00		NIST
Inp	2670.00		NIST
Tboil	881.89	K	Joback Calculated Property
Tc	1079.70	K	Joback Calculated Property
Tfus	518.14	K	Joback Calculated Property
Vc	1.321	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1105.89; 1195.87]	J/mol×K	[881.89; 1079.70]
Cp,gas	1105.89	J/mol×K	881.89	Joback Calculated Property
Cp,gas	1123.85	J/mol×K	914.86	Joback Calculated Property
Cp,gas	1140.57	J/mol×K	947.83	Joback Calculated Property
Cp,gas	1156.10	J/mol×K	980.79	Joback Calculated Property
Cp,gas	1170.47	J/mol×K	1013.76	Joback Calculated Property
Cp,gas	1183.72	J/mol×K	1046.73	Joback Calculated Property
Cp,gas	1195.87	J/mol×K	1079.70	Joback Calculated Property

Similar Compounds

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

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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