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

InChI

InChI=1S/C24H46ClNO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-29-23(27)22(2)26(3)24(28)30-21-18-19-25/h22H,4-21H2,1-3H3

InChI Key

GJBINCPJPDLJQH-UHFFFAOYSA-N

Formula

C24H46ClNO4

SMILES

CCCCCCCCCCCCCCCCOC(=O)C(C)N(C)C(=O)OCCCCl

Molecular Weight¹

448.08

• 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°	-220.23	kJ/mol	Joback Calculated Property
ΔfH°gas	-981.78	kJ/mol	Joback Calculated Property
ΔfusH°	67.19	kJ/mol	Joback Calculated Property
ΔvapH°	93.37	kJ/mol	Joback Calculated Property
log10WS	-7.41		Crippen Calculated Property
logPoct/wat	7.097		Crippen Calculated Property
McVol	386.120	ml/mol	McGowan Calculated Property
Pc	834.83	kPa	Joback Calculated Property
Inp	[2970.00; 2970.00]
Inp	2970.00		NIST
Inp	2970.00		NIST
Tboil	950.53	K	Joback Calculated Property
Tc	1167.79	K	Joback Calculated Property
Tfus	551.95	K	Joback Calculated Property
Vc	1.488	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1293.27; 1387.63]	J/mol×K	[950.53; 1167.79]
Cp,gas	1293.27	J/mol×K	950.53	Joback Calculated Property
Cp,gas	1312.67	J/mol×K	986.74	Joback Calculated Property
Cp,gas	1330.53	J/mol×K	1022.95	Joback Calculated Property
Cp,gas	1346.90	J/mol×K	1059.16	Joback Calculated Property
Cp,gas	1361.84	J/mol×K	1095.37	Joback Calculated Property
Cp,gas	1375.39	J/mol×K	1131.58	Joback Calculated Property
Cp,gas	1387.63	J/mol×K	1167.79	Joback Calculated Property

Similar Compounds

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

Sources

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

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