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

Fumaric acid, monoamide, N-benzyl-N-phenethyl-, 2-fluorophenyl ester

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InChI
InChI=1S/C25H22FNO3/c26-22-13-7-8-14-23(22)30-25(29)16-15-24(28)27(19-21-11-5-2-6-12-21)18-17-20-9-3-1-4-10-20/h1-16H,17-19H2/b16-15+
InChI Key
HAUSSUIWYOGCIB-FOCLMDBBSA-N
Formula
C25H22FNO3
SMILES
O=C(C=CC(=O)N(CCc1ccccc1)Cc1ccccc1)Oc1ccccc1F
Molecular Weight1
403.45
Sources

Physical Properties

Property Value Unit Source
Δf 120.57 kJ/mol Joback Calculated Property
Δfgas -229.95 kJ/mol Joback Calculated Property
Δfus 52.93 kJ/mol Joback Calculated Property
Δvap 95.82 kJ/mol Joback Calculated Property
logPoct/wat 4.56 Crippen Calculated Property
Pc 1567.23 kPa Joback Calculated Property
Tboil 1002.45 K Joback Calculated Property
Tc 1244.79 K Joback Calculated Property
Tfus 613.36 K Joback Calculated Property
Vc 1.16 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 962.35 J/mol×K 1002.45 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
-F 1
=CH- (ring) 14
-CH2- 3
=C< (ring) 4
>N- 1
=CH- 2
>C=O (nonring) 2

Similar Compounds

Fumaric acid, monoamide, N-benzyl-N-phenethyl-, 3,5-difluorophenyl ester. Fumaric acid, monoamide, N-benzyl-N-phenethyl-, isopropyl ester. Fumaric acid, monoamide, N-benzyl-N-phenethyl-, 2-pentyl ester. Fumaric acid, monoamide, N-benzyl-N-phenethyl-, 2-ethylhexyl ester. Fumaric acid, monoamide, N-benzyl-N-phenethyl-, pentafluorobenzyl ester. Fumaric acid, monoamide, N-(3,4-dimethoxyphenethyl)-, 3,5-difluorophenyl ester. Fumaric acid, monoamide, N-(2-ethylphenyl)-, 2-fluorophenyl ester. Fumaric acid, 2-phenethyl 2-fluorophenyl ester. Fumaric acid, monoamide, N-methyl-N-phenyl-, 2-fluorophenyl ester. Fumaric acid, 1-phenylprop-1-yl 2-fluorophenyl ester. Fumaric acid, 3-phenylpropyl 2-fluorophenyl ester. Californine-M (nor-demethylene) 3AC. Californine-M (nor-demethylene-methyl-) 2AC. Fumaric acid, monoamide, N,N-dimethyl-, 3,5-fluorophenyl ester. N-Acetylnorlaudanosine.

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