Chemical Properties of D-Alanine, N-(4-anisoyl)-, dodecyl ester

InChI

InChI=1S/C23H37NO4/c1-4-5-6-7-8-9-10-11-12-13-18-28-23(26)19(2)24-22(25)20-14-16-21(27-3)17-15-20/h14-17,19H,4-13,18H2,1-3H3,(H,24,25)

InChI Key

FRVKJBPYBQJXOV-UHFFFAOYSA-N

Formula

C23H37NO4

SMILES

CCCCCCCCCCCCOC(=O)C(C)NC(=O)c1ccc(OC)cc1

Molecular Weight¹

391.54

• 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°	-135.33	kJ/mol	Joback Calculated Property
ΔfH°gas	-734.40	kJ/mol	Joback Calculated Property
ΔfusH°	56.13	kJ/mol	Joback Calculated Property
ΔvapH°	94.09	kJ/mol	Joback Calculated Property
log10WS	-6.77		Crippen Calculated Property
logPoct/wat	5.278		Crippen Calculated Property
McVol	336.030	ml/mol	McGowan Calculated Property
Pc	1113.34	kPa	Joback Calculated Property
Inp	[3010.00; 3010.00]
Inp	3010.00		NIST
Inp	3010.00		NIST
Tboil	959.61	K	Joback Calculated Property
Tc	1175.17	K	Joback Calculated Property
Tfus	569.89	K	Joback Calculated Property
Vc	1.292	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1119.01; 1194.11]	J/mol×K	[959.61; 1175.17]
Cp,gas	1119.01	J/mol×K	959.61	Joback Calculated Property
Cp,gas	1134.94	J/mol×K	995.54	Joback Calculated Property
Cp,gas	1149.45	J/mol×K	1031.46	Joback Calculated Property
Cp,gas	1162.58	J/mol×K	1067.39	Joback Calculated Property
Cp,gas	1174.37	J/mol×K	1103.32	Joback Calculated Property
Cp,gas	1184.87	J/mol×K	1139.25	Joback Calculated Property
Cp,gas	1194.11	J/mol×K	1175.17	Joback Calculated Property

Similar Compounds

Find more compounds similar to D-Alanine, N-(4-anisoyl)-, dodecyl ester.

Sources

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

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