Chemical Properties of Fumaric acid, 2-nitrophenyl 2-ethylhexyl ester

Fumaric acid, 2-nitrophenyl 2-ethylhexyl ester

InChI
InChI=1S/C18H23NO6/c1-3-5-8-14(4-2)13-24-17(20)11-12-18(21)25-16-10-7-6-9-15(16)19(22)23/h6-7,9-12,14H,3-5,8,13H2,1-2H3/b12-11+
InChI Key
ZKOHDLBDAJJPOZ-VAWYXSNFSA-N
Formula
C18H23NO6
SMILES
CCCCC(CC)COC(=O)C=CC(=O)Oc1ccccc1[N+](=O)[O-]
Molecular Weight1
349.38
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Physical Properties

Property Value Unit Source
ΔfusH° 52.81 kJ/mol Joback Calculated Property
log10WS -5.52 Relay (1.0) Calculated Property
logPoct/wat 3.816 Crippen Calculated Property
McVol 268.720 ml/mol McGowan Calculated Property
Pc 1540.29 kPa Joback Calculated Property
Inp [2562.00; 2562.00]   Show Hide
Inp 2562.00 NIST
Inp 2562.00 NIST
Tboil 628.15 K Relay (1.0) Calculated Property
Tfus 273.98 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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 [378.15; 858.80] 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 A7.36500e+00
Coefficient B1.59110e+00
Coefficient C-8.95760e-04
Coefficient D1.56100e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 378.15 J/mol×K 273.00 Calculated Property
Cp,gas 465.06 J/mol×K 353.78 Calculated Property
Cp,gas 542.44 J/mol×K 434.56 Calculated Property
Cp,gas 610.79 J/mol×K 515.33 Calculated Property
Cp,gas 670.60 J/mol×K 596.11 Calculated Property
Cp,gas 722.36 J/mol×K 676.89 Calculated Property
Cp,gas 766.56 J/mol×K 757.67 Calculated Property
Cp,gas 803.71 J/mol×K 838.44 Calculated Property
Cp,gas 834.29 J/mol×K 919.22 Calculated Property
Cp,gas 858.80 J/mol×K 1000.00 Calculated Property

Similar Compounds

Fumaric acid, 2-nitrophenyl cyclohexylmethyl ester. Fumaric acid, 2-nitrophenyl hept-2-yl ester. Fumaric acid, 2-nitrophenyl dec-2-yl ester. Glutaric acid, 2-ethylhexyl 2-nitrophenyl ester. Fumaric acid, 4-nitrophenyl 2-ethylhexyl ester. Glutaric acid, cyclohexylmethyl 2-nitrophenyl ester. Sebacic acid, isohexyl 2-nitrophenyl ester. Glutaric acid, isohexyl 2-nitrophenyl ester. Fumaric acid, isohexyl 3-nitrophenyl ester. Fumaric acid, 2-nitrophenyl 3-methylbut-2-yl ester. Pimelic acid, 4-methyl-2-pentyl 2-nitro-5-fluorophenyl ester. Sebacic acid, isobutyl 2-nitrophenyl ester. Pimelic acid, isobutyl 2-nitrophenyl ester. Fumaric acid, 2-ethylhexyl 2-fluorophenyl ester. Glutaric acid, 2-methylpent-3-yl 2-nitrophenyl ester.

Find more compounds similar to Fumaric acid, 2-nitrophenyl 2-ethylhexyl ester.

Sources

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