Chemical Properties of Fumaric acid, monoamide, N-benzyl-N-phenethyl-, isopropyl ester

InChI

InChI=1S/C22H25NO3/c1-18(2)26-22(25)14-13-21(24)23(17-20-11-7-4-8-12-20)16-15-19-9-5-3-6-10-19/h3-14,18H,15-17H2,1-2H3/b14-13+

InChI Key

XXPGSJYLWLFSBH-BUHFOSPRSA-N

Formula

C22H25NO3

SMILES

CC(C)OC(=O)C=CC(=O)N(CCc1ccccc1)Cc1ccccc1

Molecular Weight¹

351.44

• 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°	184.90	kJ/mol	Joback Calculated Property
ΔfH°gas	-202.26	kJ/mol	Joback Calculated Property
ΔfusH°	44.90	kJ/mol	Joback Calculated Property
ΔvapH°	86.63	kJ/mol	Joback Calculated Property
log10WS	-4.91		Crippen Calculated Property
logPoct/wat	3.766		Crippen Calculated Property
McVol	288.010	ml/mol	McGowan Calculated Property
Pc	1598.72	kPa	Joback Calculated Property
Inp	[2831.00; 2831.00]
Inp	2831.00		NIST
Inp	2831.00		NIST
Tboil	902.44	K	Joback Calculated Property
Tc	1130.09	K	Joback Calculated Property
Tfus	525.02	K	Joback Calculated Property
Vc	1.073	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[885.77; 959.87]	J/mol×K	[902.44; 1130.09]
Cp,gas	885.77	J/mol×K	902.44	Joback Calculated Property
Cp,gas	900.68	J/mol×K	940.38	Joback Calculated Property
Cp,gas	914.43	J/mol×K	978.32	Joback Calculated Property
Cp,gas	927.12	J/mol×K	1016.27	Joback Calculated Property
Cp,gas	938.86	J/mol×K	1054.21	Joback Calculated Property
Cp,gas	949.74	J/mol×K	1092.15	Joback Calculated Property
Cp,gas	959.87	J/mol×K	1130.09	Joback Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, monoamide, N-benzyl-N-phenethyl-, isopropyl ester.

Sources

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

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