Chemical Properties of Diethylmalonic acid, 2-methylhex-3-yl 4-nitrophenyl ester

Diethylmalonic acid, 2-methylhex-3-yl 4-nitrophenyl ester

InChI
InChI=1S/C20H29NO6/c1-6-9-17(14(4)5)27-19(23)20(7-2,8-3)18(22)26-16-12-10-15(11-13-16)21(24)25/h10-14,17H,6-9H2,1-5H3
InChI Key
XFJRRESISAFVAD-UHFFFAOYSA-N
Formula
C20H29NO6
SMILES
CCCC(OC(=O)C(CC)(CC)C(=O)Oc1ccc([N+](=O)[O-])cc1)C(C)C
Molecular Weight1
379.45
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Physical Properties

Property Value Unit Source
ΔfusH° 46.85 kJ/mol Joback Calculated Property
IE 8.92 eV Relay (1.0) Calculated Property
logPoct/wat 4.675 Crippen Calculated Property
McVol 301.200 ml/mol McGowan Calculated Property
Inp [2419.00; 2419.00]   Show Hide
Inp 2419.00 NIST
Inp 2419.00 NIST
Tboil 641.54 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, 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 [432.81; 994.57] 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-6.42600e+00
Coefficient B1.89286e+00
Coefficient C-1.09576e-03
Coefficient D2.03900e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 432.81 J/mol×K 273.00 Calculated Property
Cp,gas 535.11 J/mol×K 353.78 Calculated Property
Cp,gas 625.94 J/mol×K 434.56 Calculated Property
Cp,gas 705.93 J/mol×K 515.33 Calculated Property
Cp,gas 775.74 J/mol×K 596.11 Calculated Property
Cp,gas 836.01 J/mol×K 676.89 Calculated Property
Cp,gas 887.39 J/mol×K 757.67 Calculated Property
Cp,gas 930.51 J/mol×K 838.44 Calculated Property
Cp,gas 966.02 J/mol×K 919.22 Calculated Property
Cp,gas 994.57 J/mol×K 1000.00 Calculated Property

Similar Compounds

Diethylmalonic acid, 2-chlorophenyl 2-methylhex-3-yl ester. Diethylmalonic acid, 4-biphenyl 2-methylhex-3-yl ester. Diethylmalonic acid, 4-bromo-2-methoxyphenyl 2-methylhex-3-yl ester. Diethylmalonic acid, hexyl 4-nitrophenyl ester. Diethylmalonic acid, 4-acetylphenyl 2-methylhex-3-yl ester. Diethylmalonic acid, 4-nitrophenyl octyl ester. Diethylmalonic acid, 4-nitrophenyl nonyl ester. Diethylmalonic acid, heptyl 4-nitrophenyl ester. Diethylmalonic acid, decyl 4-nitrophenyl ester. Diethylmalonic acid, 2-chloro-6-fluorophenyl 2-methylhex-3-yl ester. Diethylmalonic acid, 4-nitrophenyl pentyl ester. Diethylmalonic acid, 2-ethylphenyl 2-methylhex-3-yl ester. Diethylmalonic acid, butyl 4-nitrophenyl ester. Diethylmalonic acid, 3-nitrophenyl pentyl ester. Diethylmalonic acid, 2-isopropylphenyl 2-methylhex-3-yl ester.

Find more compounds similar to Diethylmalonic acid, 2-methylhex-3-yl 4-nitrophenyl ester.

Sources

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