Chemical Properties of D-Alanine, N-(2-chlorobenzoyl)-, undecyl ester

InChI

InChI=1S/C21H32ClNO3/c1-3-4-5-6-7-8-9-10-13-16-26-21(25)17(2)23-20(24)18-14-11-12-15-19(18)22/h11-12,14-15,17H,3-10,13,16H2,1-2H3,(H,23,24)

InChI Key

KPYZULNKYBAKJC-UHFFFAOYSA-N

Formula

C21H32ClNO3

SMILES

CCCCCCCCCCCOC(=O)C(C)NC(=O)c1ccccc1Cl

Molecular Weight¹

381.94

• 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°	-59.10	kJ/mol	Joback Calculated Property
ΔfH°gas	-576.64	kJ/mol	Joback Calculated Property
ΔfusH°	53.96	kJ/mol	Joback Calculated Property
ΔvapH°	91.61	kJ/mol	Joback Calculated Property
log10WS	-6.92		Crippen Calculated Property
logPoct/wat	5.532		Crippen Calculated Property
McVol	314.220	ml/mol	McGowan Calculated Property
Pc	1253.03	kPa	Joback Calculated Property
Inp	[2847.00; 2847.00]
Inp	2847.00		NIST
Inp	2847.00		NIST
Tboil	928.86	K	Joback Calculated Property
Tc	1141.37	K	Joback Calculated Property
Tfus	555.04	K	Joback Calculated Property
Vc	1.212	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[994.51; 1067.70]	J/mol×K	[928.86; 1141.37]
Cp,gas	994.51	J/mol×K	928.86	Joback Calculated Property
Cp,gas	1009.49	J/mol×K	964.28	Joback Calculated Property
Cp,gas	1023.30	J/mol×K	999.70	Joback Calculated Property
Cp,gas	1035.97	J/mol×K	1035.11	Joback Calculated Property
Cp,gas	1047.56	J/mol×K	1070.53	Joback Calculated Property
Cp,gas	1058.12	J/mol×K	1105.95	Joback Calculated Property
Cp,gas	1067.70	J/mol×K	1141.37	Joback Calculated Property

Similar Compounds

Find more compounds similar to D-Alanine, N-(2-chlorobenzoyl)-, undecyl ester.

Sources

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

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