Chemical Properties of Pimelic acid, 4-methyl-2-pentyl 2-nitro-5-fluorophenyl ester

Pimelic acid, 4-methyl-2-pentyl 2-nitro-5-fluorophenyl ester

InChI
InChI=1S/C19H26FNO6/c1-13(2)11-14(3)26-18(22)7-5-4-6-8-19(23)27-17-12-15(20)9-10-16(17)21(24)25/h9-10,12-14H,4-8,11H2,1-3H3
InChI Key
QPUZXBKCEMQSEN-UHFFFAOYSA-N
Formula
C19H26FNO6
SMILES
CC(C)CC(C)OC(=O)CCCCCC(=O)Oc1cc(F)ccc1[N+](=O)[O-]
Molecular Weight1
383.41
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Physical Properties

Property Value Unit Source
ΔfusH° 54.36 kJ/mol Joback Calculated Property
logPoct/wat 4.568 Crippen Calculated Property
McVol 288.880 ml/mol McGowan Calculated Property
Inp [2545.00; 2545.00]   Show Hide
Inp 2545.00 NIST
Inp 2545.00 NIST
Tboil 634.10 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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [423.80; 945.55] 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 A3.93460e+01
Coefficient B1.62432e+00
Coefficient C-8.18920e-04
Coefficient D1.00800e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 423.80 J/mol×K 273.00 Calculated Property
Cp,gas 515.96 J/mol×K 353.78 Calculated Property
Cp,gas 598.83 J/mol×K 434.56 Calculated Property
Cp,gas 672.73 J/mol×K 515.33 Calculated Property
Cp,gas 737.97 J/mol×K 596.11 Calculated Property
Cp,gas 794.88 J/mol×K 676.89 Calculated Property
Cp,gas 843.77 J/mol×K 757.67 Calculated Property
Cp,gas 884.97 J/mol×K 838.44 Calculated Property
Cp,gas 918.79 J/mol×K 919.22 Calculated Property
Cp,gas 945.55 J/mol×K 1000.00 Calculated Property

Similar Compounds

Pimelic acid, hexyl 2-nitro-5-fluorophenyl ester. Pimelic acid, heptyl 2-nitro-5-fluorophenyl ester. Pimelic acid, 2-nitro-5-fluorophenyl nonyl ester. Pimelic acid, 2-nitro-5-fluorophenyl octyl ester. Pimelic acid, 2-nitro-5-fluorophenyl pentyl ester. Pimelic acid, isobutyl 2-nitro-5-fluorophenyl ester. Pimelic acid, butyl 2-nitro-5-fluorophenyl ester. Glutaric acid, 2-methylpent-3-yl 2-nitrophenyl ester. Glutaric acid, hept-2-yl 2-nitrophenyl ester. Pimelic acid, 2-nitro-5-fluorophenyl propyl ester. Glutaric acid, 2-ethylhexyl 2-nitrophenyl ester. Sebacic acid, isohexyl 2-nitrophenyl ester. Glutaric acid, cyclohexylmethyl 2-nitrophenyl ester. Glutaric acid, 3-methylbut-2-yl 2-nitrophenyl ester. Pimelic acid, ethyl 2-nitro-5-fluorophenyl ester.

Find more compounds similar to Pimelic acid, 4-methyl-2-pentyl 2-nitro-5-fluorophenyl ester.

Sources

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