Chemical Properties of Fumaric acid, 2-nitrophenyl hept-2-yl ester

Fumaric acid, 2-nitrophenyl hept-2-yl ester

InChI
InChI=1S/C17H21NO6/c1-3-4-5-8-13(2)23-16(19)11-12-17(20)24-15-10-7-6-9-14(15)18(21)22/h6-7,9-13H,3-5,8H2,1-2H3/b12-11+
InChI Key
PNESYOKPZPCUDC-VAWYXSNFSA-N
Formula
C17H21NO6
SMILES
CCCCCC(C)OC(=O)C=CC(=O)Oc1ccccc1[N+](=O)[O-]
Molecular Weight1
335.35
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Physical Properties

Property Value Unit Source
ΔfusH° 50.22 kJ/mol Joback Calculated Property
logPoct/wat 3.568 Crippen Calculated Property
McVol 254.630 ml/mol McGowan Calculated Property
Inp [2440.00; 2440.00]   Show Hide
Inp 2440.00 NIST
Inp 2440.00 NIST
Tboil 608.10 K Relay (1.0) Calculated Property

Cheméo can also estimate 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, Ionization energy, Log10 of Water solubility in mol/l 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 [775.77; 830.68] J/mol×K [892.22; 1117.33] Show Hide
Cp,gas 775.77 J/mol×K 892.22 Joback Calculated Property
Cp,gas 787.86 J/mol×K 929.74 Joback Calculated Property
Cp,gas 798.72 J/mol×K 967.26 Joback Calculated Property
Cp,gas 808.38 J/mol×K 1004.78 Joback Calculated Property
Cp,gas 816.90 J/mol×K 1042.29 Joback Calculated Property
Cp,gas 824.32 J/mol×K 1079.81 Joback Calculated Property
Cp,gas 830.68 J/mol×K 1117.33 Joback Calculated Property

Similar Compounds

Fumaric acid, 2-nitrophenyl dec-2-yl ester. Fumaric acid, 2-nitrophenyl 2-ethylhexyl ester. Fumaric acid, 2-nitrophenyl cyclohexylmethyl ester. Fumaric acid, 4-nitrophenyl hept-2-yl ester. Glutaric acid, hept-2-yl 2-nitrophenyl ester. Fumaric acid, 2-nitrophenyl 3-methylbut-2-yl ester. Pimelic acid, 4-methyl-2-pentyl 2-nitro-5-fluorophenyl ester. Glutaric acid, 2-methylpent-3-yl 2-nitrophenyl ester. Glutaric acid, 3-methylbut-2-yl 2-nitrophenyl ester. Glutaric acid, 2-ethylhexyl 2-nitrophenyl ester. Sebacic acid, isohexyl 2-nitrophenyl ester. Fumaric acid, hexyl 3-nitrophenyl ester. 2-(hydroxymethyl)-6-(3-nitrophenoxy)oxane-3,4,5-triol. Glutaric acid, cyclohexylmethyl 2-nitrophenyl ester. o-Nitrophenyl-«beta»-D-galactopyranoside.

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

Sources

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