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

InChI

InChI=1S/C24H38ClNO3/c1-3-4-5-6-7-8-9-10-11-12-13-16-19-29-24(28)20(2)26-23(27)21-17-14-15-18-22(21)25/h14-15,17-18,20H,3-13,16,19H2,1-2H3,(H,26,27)

InChI Key

HTXJPUJDKHLVNZ-UHFFFAOYSA-N

Formula

C24H38ClNO3

SMILES

CCCCCCCCCCCCCCOC(=O)C(C)NC(=O)c1ccccc1Cl

Molecular Weight¹

424.02

• 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	1.1058		Relay (1.0) Calculated Property
ΔfG°	-33.84	kJ/mol	Joback Calculated Property
ΔfH°gas	-785.95	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	61.73	kJ/mol	Joback Calculated Property
ΔvapH°	124.90	kJ/mol	Relay (1.0) Calculated Property
IE	8.88	eV	Relay (1.0) Calculated Property
log10WS	-6.94		Relay (1.0) Calculated Property
logPoct/wat	6.703		Crippen Calculated Property
McVol	356.490	ml/mol	McGowan Calculated Property
Pc	1031.91	kPa	Joback Calculated Property
Inp	[3166.00; 3166.00]
Inp	3166.00		NIST
Inp	3166.00		NIST
Tboil	663.11	K	Relay (1.0) Calculated Property
Tc	916.39	K	Relay (1.0) Calculated Property
Tfus	357.53	K	Relay (1.0) Calculated Property
Vc	1.314	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1177.08; 1252.91]	J/mol×K	[997.50; 1221.23]
Cp,gas	1177.08	J/mol×K	997.50	Joback Calculated Property
Cp,gas	1192.85	J/mol×K	1034.79	Joback Calculated Property
Cp,gas	1207.27	J/mol×K	1072.08	Joback Calculated Property
Cp,gas	1220.42	J/mol×K	1109.36	Joback Calculated Property
Cp,gas	1232.37	J/mol×K	1146.65	Joback Calculated Property
Cp,gas	1243.17	J/mol×K	1183.94	Joback Calculated Property
Cp,gas	1252.91	J/mol×K	1221.23	Joback Calculated Property

Similar Compounds

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

Sources

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

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