Chemical Properties of Fumaric acid, monoamide, N-benzyl-N-phenethyl-, 2-ethylhexyl ester

InChI

InChI=1S/C27H35NO3/c1-3-5-12-23(4-2)22-31-27(30)18-17-26(29)28(21-25-15-10-7-11-16-25)20-19-24-13-8-6-9-14-24/h6-11,13-18,23H,3-5,12,19-22H2,1-2H3/b18-17+

InChI Key

IQIQNWWAYNDDFW-ISLYRVAYSA-N

Formula

C27H35NO3

SMILES

CCCCC(CC)COC(=O)C=CC(=O)N(CCc1ccccc1)Cc1ccccc1

Molecular Weight¹

421.57

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1187.08; 1267.76]	J/mol×K	[1016.84; 1247.41]
Cp,gas	1187.08	J/mol×K	1016.84	Joback Calculated Property
Cp,gas	1202.90	J/mol×K	1055.27	Joback Calculated Property
Cp,gas	1217.61	J/mol×K	1093.70	Joback Calculated Property
Cp,gas	1231.32	J/mol×K	1132.13	Joback Calculated Property
Cp,gas	1244.16	J/mol×K	1170.56	Joback Calculated Property
Cp,gas	1256.27	J/mol×K	1208.99	Joback Calculated Property
Cp,gas	1267.76	J/mol×K	1247.41	Joback Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, monoamide, N-benzyl-N-phenethyl-, 2-ethylhexyl ester.

Sources

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

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