Chemical Properties of Benzeneacetic acid, 4-nitro-, undec-2-en-1-yl ester

Benzeneacetic acid, 4-nitro-, undec-2-en-1-yl ester

InChI
InChI=1S/C19H27NO4/c1-2-3-4-5-6-7-8-9-10-15-24-19(21)16-17-11-13-18(14-12-17)20(22)23/h9-14H,2-8,15-16H2,1H3/b10-9+
InChI Key
DDQCNHRGXYOSBK-MDZDMXLPSA-N
Formula
C19H27NO4
SMILES
CCCCCCCCC=CCOC(=O)Cc1ccc([N+](=O)[O-])cc1
Molecular Weight1
333.42
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Physical Properties

Property Value Unit Source
ΔfusH° 54.55 kJ/mol Joback Calculated Property
ΔvapH° 115.78 kJ/mol Relay (1.0) Calculated Property
IE 8.91 eV Relay (1.0) Calculated Property
logPoct/wat 4.987 Crippen Calculated Property
McVol 275.370 ml/mol McGowan Calculated Property
Inp [2644.00; 2644.00]   Show Hide
Inp 2644.00 NIST
Inp 2644.00 NIST
Tboil 638.52 K Relay (1.0) Calculated Property
Tfus 292.69 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, 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 [856.75; 930.33] J/mol×K [880.20; 1096.72] Show Hide
Cp,gas 856.75 J/mol×K 880.20 Joback Calculated Property
Cp,gas 871.55 J/mol×K 916.29 Joback Calculated Property
Cp,gas 885.24 J/mol×K 952.37 Joback Calculated Property
Cp,gas 897.91 J/mol×K 988.46 Joback Calculated Property
Cp,gas 909.60 J/mol×K 1024.55 Joback Calculated Property
Cp,gas 920.39 J/mol×K 1060.63 Joback Calculated Property
Cp,gas 930.33 J/mol×K 1096.72 Joback Calculated Property

Similar Compounds

Benzeneacetic acid, 4-nitro-, oct-3-en-2-yl ester. Phenylacetic acid, undec-2-enyl ester. Benzeneacetic acid, 4-chloro-, undec-2-en-1-yl ester. 1-Naphthaleneacetic acid, dodec-2-en-1-yl ester. Hydratropic acid, undec-2-en-1-yl ester. Glutaric acid, dodec-2-en-1-yl 3-nitrobenzyl ester. Butyric acid, 2-phenyl-, undec-2-en-1-yl ester. Butyric acid, 2-phenyl-, dodec-2-en-1-yl ester. Glutaric acid, dodec-2-en-1-yl phenethyl ester. Phenylacetic acid, oct-3-en-2-yl ester. Benzeneacetic acid, 4-chloro-, oct-3-en-2-yl ester. Succinic acid, dodec-2-en-1-yl phenethyl ester. Butyric acid, 2-phenyl-, oct-3-en-2-yl ester. Hydratropic acid, oct-3-en-2-yl ester. Glutaric acid, dodec-2-en-1-yl 3-ethylphenyl ester.

Find more compounds similar to Benzeneacetic acid, 4-nitro-, undec-2-en-1-yl ester.

Sources

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