Chemical Properties of Fumaric acid, monoamide, N-methyl-N-phenyl-, pentafluorobenzyl ester

Fumaric acid, monoamide, N-methyl-N-phenyl-, pentafluorobenzyl ester

InChI
InChI=1S/C18H12F5NO3/c1-24(10-5-3-2-4-6-10)12(25)7-8-13(26)27-9-11-14(19)16(21)18(23)17(22)15(11)20/h2-8H,9H2,1H3/b8-7+
InChI Key
ZWVQSLFQAZDRNB-BQYQJAHWSA-N
Formula
C18H12F5NO3
SMILES
CN(C(=O)C=CC(=O)OCc1c(F)c(F)c(F)c(F)c1F)c1ccccc1
Molecular Weight1
385.28
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Physical Properties

Property Value Unit Source
ΔfusH° 53.10 kJ/mol Joback Calculated Property
IE 8.86 eV Relay (1.0) Calculated Property
log10WS -6.08 Relay (1.0) Calculated Property
logPoct/wat 3.644 Crippen Calculated Property
McVol 240.500 ml/mol McGowan Calculated Property
Inp [2382.00; 2382.00]   Show Hide
Inp 2382.00 NIST
Inp 2382.00 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 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 [684.35; 739.08] J/mol×K [814.74; 1016.64] Show Hide
Cp,gas 684.35 J/mol×K 814.74 Joback Calculated Property
Cp,gas 695.59 J/mol×K 848.39 Joback Calculated Property
Cp,gas 705.94 J/mol×K 882.04 Joback Calculated Property
Cp,gas 715.42 J/mol×K 915.69 Joback Calculated Property
Cp,gas 724.07 J/mol×K 949.34 Joback Calculated Property
Cp,gas 731.95 J/mol×K 982.99 Joback Calculated Property
Cp,gas 739.08 J/mol×K 1016.64 Joback Calculated Property

Similar Compounds

Fumaric acid, monoamide, N-(2-bromophenyl)-, pentafluorobenzyl ester. Fumaric acid, monoamide, N-(2-fluorophenyl)-, pentafluorobenzyl ester. Fumaric acid, monoamide, N-(5-chloro-2-methoxyphenyl)-, pentafluorobenzyl ester. Cefmetazole. mexazolam. Quebrachamine. Fumaric acid, monoamide, N-methyl-N-phenyl-, 2-ethylhexyl ester. Carteolol hydroxy, acetylated. 2-Dimethylamino-8(ar)-methoxy-tetrahydro-1-acenaphthone. Yohimbine. cefuroxime acid. Poligodial + o-Tyr (ethyl ester) adduct (R,S), acetylated, # 1. Poligodial + 3-methoxy-4,5-methylenedioxyamphetamine (R,S) adduct, # 1. Poligodial + 3-methoxy-4,5-methylenedioxyamphetamine (R,S) adduct, # 2. Morphinan-6-one, 4,5-epoxy-3,14-dihydroxy-17-(2-propenyl)-, (5«alpha»)-.

Find more compounds similar to Fumaric acid, monoamide, N-methyl-N-phenyl-, pentafluorobenzyl ester.

Sources

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