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

• 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	1.1952		Relay (1.0) Calculated Property
ΔfG°	-220.23	kJ/mol	Joback Calculated Property
ΔfH°gas	-1151.49	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	67.19	kJ/mol	Joback Calculated Property
ΔvapH°	127.09	kJ/mol	Relay (1.0) Calculated Property
IE	9.29	eV	Relay (1.0) Calculated Property
log10WS	-6.39		Relay (1.0) 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	649.11	K	Relay (1.0) Calculated Property
Tc	854.56	K	Relay (1.0) Calculated Property
Tfus	308.58	K	Relay (1.0) Calculated Property
Vc	1.454	m3/kmol	Relay (1.0) 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

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.