Chemical Properties of Fumaric acid, monoamide, N-benzyl-N-phenethyl-, 3,5-difluorophenyl ester

Fumaric acid, monoamide, N-benzyl-N-phenethyl-, 3,5-difluorophenyl ester

InChI
InChI=1S/C25H21F2NO3/c26-21-15-22(27)17-23(16-21)31-25(30)12-11-24(29)28(18-20-9-5-2-6-10-20)14-13-19-7-3-1-4-8-19/h1-12,15-17H,13-14,18H2/b12-11+
InChI Key
XBIHRQSOOJOZQY-VAWYXSNFSA-N
Formula
C25H21F2NO3
SMILES
O=C(C=CC(=O)N(CCc1ccccc1)Cc1ccccc1)Oc1cc(F)cc(F)c1
Molecular Weight1
421.44
Other Names
  • Fumaric acid, monoamide, N-benzyl-N-phenethyl-, 3,5-fluorophenyl ester
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Physical Properties

Property Value Unit Source
ΔfusH° 57.20 kJ/mol Joback Calculated Property
logPoct/wat 4.698 Crippen Calculated Property
McVol 310.060 ml/mol McGowan Calculated Property
Inp [3246.00; 3246.00]   Show Hide
Inp 3246.00 NIST
Inp 3246.00 NIST

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 [962.62; 1021.06] J/mol×K [988.83; 1224.62] Show Hide
Cp,gas 962.62 J/mol×K 988.83 Joback Calculated Property
Cp,gas 974.68 J/mol×K 1028.13 Joback Calculated Property
Cp,gas 985.64 J/mol×K 1067.43 Joback Calculated Property
Cp,gas 995.64 J/mol×K 1106.73 Joback Calculated Property
Cp,gas 1004.79 J/mol×K 1146.03 Joback Calculated Property
Cp,gas 1013.22 J/mol×K 1185.33 Joback Calculated Property
Cp,gas 1021.06 J/mol×K 1224.62 Joback Calculated Property

Similar Compounds

Fumaric acid, monoamide, N-benzyl-N-phenethyl-, 3-fluorophenyl ester. Fumaric acid, monoamide, N-benzyl-N-phenethyl-, 2-fluorophenyl ester. Fumaric acid, monoamide, N-benzyl-N-phenethyl-, pentafluorobenzyl ester. Fumaric acid, monoamide, N-benzyl-N-phenethyl-, 2-ethylhexyl ester. Fumaric acid, monoamide, N-benzyl-N-phenethyl-, isopropyl ester. Fumaric acid, monoamide, N-benzyl-N-phenethyl-, 2-pentyl ester. Tryptophan-leucine-methionine,N(«alpha»,«epsilon»)-trifluoroacetyl-N-O-permethyl derivative. 2-(5-methyl-2-furyl)-3-hydroxy-piperidine. 2-(2-furyl)-3-hydroxypiperidine. 1,2,3,4-Tetrahydroanthracene-cis-1,2-diol, ferrocenylboronate. Butorphanol di-TMS derivative. Moexipril desethyl 3Me (Moexprilate 3Me). cis-1,2-Tetralinediol, ferrocenylboronate. Noscapine. Hydrastine.

Find more compounds similar to Fumaric acid, monoamide, N-benzyl-N-phenethyl-, 3,5-difluorophenyl ester.

Sources

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