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

InChI

InChI=1S/C19H36ClNO4/c1-4-5-6-7-8-9-10-11-12-15-24-18(22)17(2)21(3)19(23)25-16-13-14-20/h17H,4-16H2,1-3H3

InChI Key

UXVXITMDJFIHNF-UHFFFAOYSA-N

Formula

C19H36ClNO4

SMILES

CCCCCCCCCCCOC(=O)C(C)N(C)C(=O)OCCCCl

Molecular Weight¹

377.95

• 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°	-262.33	kJ/mol	Joback Calculated Property
ΔfH°gas	-878.58	kJ/mol	Joback Calculated Property
ΔfusH°	54.23	kJ/mol	Joback Calculated Property
ΔvapH°	82.24	kJ/mol	Joback Calculated Property
log10WS	-5.31		Crippen Calculated Property
logPoct/wat	5.146		Crippen Calculated Property
McVol	315.670	ml/mol	McGowan Calculated Property
Pc	1125.32	kPa	Joback Calculated Property
Inp	[2474.00; 2474.00]
Inp	2474.00		NIST
Inp	2474.00		NIST
Tboil	836.13	K	Joback Calculated Property
Tc	1025.78	K	Joback Calculated Property
Tfus	495.60	K	Joback Calculated Property
Vc	1.208	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[983.98; 1071.15]	J/mol×K	[836.13; 1025.78]
Cp,gas	983.98	J/mol×K	836.13	Joback Calculated Property
Cp,gas	1001.12	J/mol×K	867.74	Joback Calculated Property
Cp,gas	1017.18	J/mol×K	899.35	Joback Calculated Property
Cp,gas	1032.19	J/mol×K	930.95	Joback Calculated Property
Cp,gas	1046.17	J/mol×K	962.56	Joback Calculated Property
Cp,gas	1059.15	J/mol×K	994.17	Joback Calculated Property
Cp,gas	1071.15	J/mol×K	1025.78	Joback Calculated Property

Similar Compounds

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

Sources

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

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