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

InChI

InChI=1S/C26H20F5NO3/c27-22-19(23(28)25(30)26(31)24(22)29)16-35-21(34)12-11-20(33)32(15-18-9-5-2-6-10-18)14-13-17-7-3-1-4-8-17/h1-12H,13-16H2/b12-11+

InChI Key

ZACTUGKRNDVQCT-VAWYXSNFSA-N

Formula

C26H20F5NO3

SMILES

O=C(C=CC(=O)N(CCc1ccccc1)Cc1ccccc1)OCc1c(F)c(F)c(F)c(F)c1F

Molecular Weight¹

489.43

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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	[1037.47; 1089.40]	J/mol×K	[1024.46; 1255.28]
Cp,gas	1037.47	J/mol×K	1024.46	Joback Calculated Property
Cp,gas	1048.51	J/mol×K	1062.93	Joback Calculated Property
Cp,gas	1058.46	J/mol×K	1101.40	Joback Calculated Property
Cp,gas	1067.42	J/mol×K	1139.87	Joback Calculated Property
Cp,gas	1075.50	J/mol×K	1178.34	Joback Calculated Property
Cp,gas	1082.79	J/mol×K	1216.81	Joback Calculated Property
Cp,gas	1089.40	J/mol×K	1255.28	Joback Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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