Chemical Properties of Fumaric acid, 4-nitrophenyl 2-ethylhexyl ester

Fumaric acid, 4-nitrophenyl 2-ethylhexyl ester

InChI
InChI=1S/C18H23NO6/c1-3-5-6-14(4-2)13-24-17(20)11-12-18(21)25-16-9-7-15(8-10-16)19(22)23/h7-12,14H,3-6,13H2,1-2H3/b12-11+
InChI Key
BMLXTMDUNGKRKL-VAWYXSNFSA-N
Formula
C18H23NO6
SMILES
CCCCC(CC)COC(=O)C=CC(=O)Oc1ccc([N+](=O)[O-])cc1
Molecular Weight1
349.38
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Physical Properties

Property Value Unit Source
ΔfusH° 49.64 kJ/mol Joback Calculated Property
IE 9.47 eV Relay (1.0) Calculated Property
log10WS -5.62 Relay (1.0) Calculated Property
logPoct/wat 3.816 Crippen Calculated Property
McVol 268.720 ml/mol McGowan Calculated Property
Pc 1644.42 kPa Joback Calculated Property
Inp [2655.00; 2655.00]   Show Hide
Inp 2655.00 NIST
Inp 2655.00 NIST
Tboil 636.71 K Relay (1.0) Calculated Property
Tfus 298.34 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 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 [842.21; 898.62] J/mol×K [951.04; 1179.63] Show Hide
Cp,gas 842.21 J/mol×K 951.04 Joback Calculated Property
Cp,gas 854.37 J/mol×K 989.14 Joback Calculated Property
Cp,gas 865.37 J/mol×K 1027.24 Joback Calculated Property
Cp,gas 875.24 J/mol×K 1065.34 Joback Calculated Property
Cp,gas 884.05 J/mol×K 1103.43 Joback Calculated Property
Cp,gas 891.82 J/mol×K 1141.53 Joback Calculated Property
Cp,gas 898.62 J/mol×K 1179.63 Joback Calculated Property

Similar Compounds

Fumaric acid, 2-nitrophenyl 2-ethylhexyl ester. Fumaric acid, 2-nitrophenyl cyclohexylmethyl ester. Fumaric acid, 4-bromophenyl 2-ethylhexyl ester. Fumaric acid, 4-methoxyphenyl 2-ethylhexyl ester. Fumaric acid, isohexyl 3-nitrophenyl ester. Fumaric acid, naphth-2-yl 2-ethylhexyl ester. Fumaric acid, 4-nitrophenyl hept-2-yl ester. Fumaric acid, 4-cyanophenyl 2-ethylhexyl ester. Fumaric acid, 4-bromophenyl cyclohexylmethyl ester. Glutaric acid, 2-ethylhexyl 4-nitrophenyl ester. Fumaric acid, 2-ethylhexyl 2-fluorophenyl ester. Fumaric acid, 2-methoxyphenyl 2-ethylhexyl ester. Fumaric acid, 4-cyanophenyl cyclohexylmethyl ester. Fumaric acid, naphth-1-yl 2-ethylhexyl ester. Glutaric acid, cyclohexylmethyl 4-nitrophenyl ester.

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

Sources

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