Chemical Properties of Benzeneacetic acid, 4-nitro-, oct-3-en-2-yl ester

Benzeneacetic acid, 4-nitro-, oct-3-en-2-yl ester

InChI
InChI=1S/C16H21NO4/c1-3-4-5-6-7-13(2)21-16(18)12-14-8-10-15(11-9-14)17(19)20/h6-11,13H,3-5,12H2,1-2H3/b7-6+
InChI Key
QLVJLOPSGSCVAP-VOTSOKGWSA-N
Formula
C16H21NO4
SMILES
CCCCC=CC(C)OC(=O)Cc1ccc([N+](=O)[O-])cc1
Molecular Weight1
291.34
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Physical Properties

Property Value Unit Source
ΔfusH° 43.26 kJ/mol Joback Calculated Property
IE 8.94 eV Relay (1.0) Calculated Property
logPoct/wat 3.815 Crippen Calculated Property
McVol 233.100 ml/mol McGowan Calculated Property
Inp [2199.00; 2199.00]   Show Hide
Inp 2199.00 NIST
Inp 2199.00 NIST

Cheméo can also estimate Normal Boiling Point Temperature, 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, 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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [319.39; 747.51] 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 A-1.62260e+01
Coefficient B1.45590e+00
Coefficient C-8.81560e-04
Coefficient D1.89400e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 319.39 J/mol×K 273.00 Calculated Property
Cp,gas 396.89 J/mol×K 353.78 Calculated Property
Cp,gas 465.51 J/mol×K 434.56 Calculated Property
Cp,gas 525.85 J/mol×K 515.33 Calculated Property
Cp,gas 578.51 J/mol×K 596.11 Calculated Property
Cp,gas 624.08 J/mol×K 676.89 Calculated Property
Cp,gas 663.17 J/mol×K 757.67 Calculated Property
Cp,gas 696.37 J/mol×K 838.44 Calculated Property
Cp,gas 724.29 J/mol×K 919.22 Calculated Property
Cp,gas 747.51 J/mol×K 1000.00 Calculated Property

Similar Compounds

Benzeneacetic acid, 4-nitro-, undec-2-en-1-yl ester. Phenylacetic acid, oct-3-en-2-yl ester. Benzeneacetic acid, 4-chloro-, oct-3-en-2-yl ester. Hydratropic acid, oct-3-en-2-yl ester. Butyric acid, 2-phenyl-, oct-3-en-2-yl ester. .delta.1-tetrahydrocannabinolic acid, phenyl-boronate. DILTIAZEM, M(ODESMETHYL-), AC. Diltiazem. 4-Hydroxyoestrone (enol), TMS. 3-Oxo-.alpha.-ionol, Gly, TFA. propyl-«delta»1-tetrahydrocannabinolic acid, TMS. 7-[(2-hydroxy-2-phenylacetyl)amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid. (-)-2-Aminobutan-1-ol, ferroceneboronate derivative. «delta»1-tetrahydrocannabinolic acid, TMS. propyl-«delta»1-tetrahydrocannabinolic acid, n-butyl-boronate.

Find more compounds similar to Benzeneacetic acid, 4-nitro-, oct-3-en-2-yl ester.

Sources

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