Chemical Properties of 2-Heptenoic acid, 4-nitrophenyl ester

2-Heptenoic acid, 4-nitrophenyl ester

InChI
InChI=1S/C13H15NO4/c1-2-3-4-5-6-13(15)18-12-9-7-11(8-10-12)14(16)17/h5-10H,2-4H2,1H3/b6-5+
InChI Key
HIKWTNDLAGMQDA-AATRIKPKSA-N
Formula
C13H15NO4
SMILES
CCCCC=CC(=O)Oc1ccc([N+](=O)[O-])cc1
Molecular Weight1
249.26
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Physical Properties

Property Value Unit Source
ΔfusH° 39.01 kJ/mol Joback Calculated Property
IE 9.40 eV Relay (1.0) Calculated Property
log10WS -4.79 Relay (1.0) Calculated Property
logPoct/wat 3.247 Crippen Calculated Property
McVol 190.830 ml/mol McGowan Calculated Property
Inp [2089.00; 2089.00]   Show Hide
Inp 2089.00 NIST
Inp 2089.00 NIST
Tboil 579.79 K Relay (1.0) Calculated Property
Tfus 311.23 K Relay (1.0) Calculated Property

Cheméo can also estimate 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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [522.18; 586.93] J/mol×K [742.92; 974.12] Show Hide
Cp,gas 522.18 J/mol×K 742.92 Joback Calculated Property
Cp,gas 535.42 J/mol×K 781.45 Joback Calculated Property
Cp,gas 547.61 J/mol×K 819.99 Joback Calculated Property
Cp,gas 558.80 J/mol×K 858.52 Joback Calculated Property
Cp,gas 569.05 J/mol×K 897.05 Joback Calculated Property
Cp,gas 578.41 J/mol×K 935.59 Joback Calculated Property
Cp,gas 586.93 J/mol×K 974.12 Joback Calculated Property

Similar Compounds

2-Heptenoic acid, phenyl ester. 2-Heptenoic acid, 3-methylphenyl ester. Glutaric acid, dodec-2-en-1-yl 4-nitrophenyl ester. Fumaric acid, naphth-2-yl dodec-2-en-1-yl ester. Fumaric acid, 4-chlorophenyl dodec-2-en-1-yl ester. Fumaric acid, 2-methylphenyl dodec-2-en-1-yl ester. Fumaric acid, 4-methoxyphenyl dodec-2-en-1-yl ester. Fumaric acid, naphth-1-yl dodec-2-en-1-yl ester. Fumaric acid, 4-nitrophenyl hept-2-yl ester. Fumaric acid, 4-nitrophenyl 2-ethylhexyl ester. Fumaric acid, 2-methoxyphenyl dodec-2-en-1-yl ester. 4-Nitrobenzoic acid, oct-3-en-2-yl ester. Fumaric acid, 3,5-dimethylphenyl dodec-2-en-1-yl ester. Fumaric acid, 2,4-dichlorophenyl dodec-2-en-1-yl ester. Succinic acid, dodec-2-en-1-yl 4-bromo-2-methoxyphenyl ester.

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

Sources

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