Chemical Properties of Fumaric acid, 4-nitrophenyl naphth-2-ylmethyl ester

Fumaric acid, 4-nitrophenyl naphth-2-ylmethyl ester

InChI
InChI=1S/C21H15NO6/c23-20(27-14-15-5-6-16-3-1-2-4-17(16)13-15)11-12-21(24)28-19-9-7-18(8-10-19)22(25)26/h1-13H,14H2/b12-11+
InChI Key
NZFWELYRBDKACP-VAWYXSNFSA-N
Formula
C21H15NO6
SMILES
O=C(C=CC(=O)Oc1ccc([N+](=O)[O-])cc1)OCc1ccc2ccccc2c1
Molecular Weight1
377.35
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Physical Properties

Property Value Unit Source
ΔfusH° 54.77 kJ/mol Joback Calculated Property
IE 8.46 eV Relay (1.0) Calculated Property
log10WS -5.73 Relay (1.0) Calculated Property
logPoct/wat 3.953 Crippen Calculated Property
McVol 267.770 ml/mol McGowan Calculated Property
Inp [3264.00; 3264.00]   Show Hide
Inp 3264.00 NIST
Inp 3264.00 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 [346.40; 800.69] 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 A-4.47290e+01
Coefficient B1.72806e+00
Coefficient C-1.15664e-03
Coefficient D2.74000e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 346.40 J/mol×K 273.00 Calculated Property
Cp,gas 433.99 J/mol×K 353.78 Calculated Property
Cp,gas 510.28 J/mol×K 434.56 Calculated Property
Cp,gas 576.13 J/mol×K 515.33 Calculated Property
Cp,gas 632.42 J/mol×K 596.11 Calculated Property
Cp,gas 680.01 J/mol×K 676.89 Calculated Property
Cp,gas 719.76 J/mol×K 757.67 Calculated Property
Cp,gas 752.55 J/mol×K 838.44 Calculated Property
Cp,gas 779.24 J/mol×K 919.22 Calculated Property
Cp,gas 800.69 J/mol×K 1000.00 Calculated Property

Similar Compounds

Fumaric acid, 2-nitrophenyl naphth-2-ylmethyl ester. Fumaric acid, naphth-2-yl naphth-2-ylmethyl ester. Fumaric acid, naphth-1-yl naphth-2-ylmethyl ester. Fumaric acid, 4-methoxyphenyl naphth-2-ylmethyl ester. Fumaric acid, 4-chlorophenyl naphth-2-ylmethyl ester. Fumaric acid, 2-methylphenyl naphth-2-ylmethyl ester. Fumaric acid, 3-chlorophenyl naphth-2-ylmethyl ester. Fumaric acid, 2-methoxyphenyl naphth-2-ylmethyl ester. Fumaric acid, 2,4-dichlorophenyl naphth-2-ylmethyl ester. Fumaric acid, 2-isopropoxyphenyl naphth-2-ylmethyl ester. Fumaric acid, 2,4,6-trichlorophenyl naphth-2-ylmethyl ester. Fumaric acid, 2,6-dimethoxyphenyl naphth-2-ylmethyl ester. Fumaric acid, 2,6-dichlorophenyl naphth-2-ylmethyl ester. Fumaric acid, 2-isopropylphenyl naphth-2-ylmethyl ester. Fumaric acid, 4-chlorobenzyl 3-chlorophenyl ester.

Find more compounds similar to Fumaric acid, 4-nitrophenyl naphth-2-ylmethyl ester.

Sources

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