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
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [345.33; 735.64] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A2.85610e+01
Coefficient B1.37862e+00
Coefficient C-8.47700e-04
Coefficient D1.76160e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 345.33 J/mol×K 273.00 Calculated Property
Cp,gas 417.99 J/mol×K 353.78 Calculated Property
Cp,gas 482.03 J/mol×K 434.56 Calculated Property
Cp,gas 538.00 J/mol×K 515.33 Calculated Property
Cp,gas 586.46 J/mol×K 596.11 Calculated Property
Cp,gas 627.97 J/mol×K 676.89 Calculated Property
Cp,gas 663.09 J/mol×K 757.67 Calculated Property
Cp,gas 692.37 J/mol×K 838.44 Calculated Property
Cp,gas 716.36 J/mol×K 919.22 Calculated Property
Cp,gas 735.64 J/mol×K 1000.00 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

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.
These property values are available through the Cheméo API. A free account gives you an access key.