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 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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [978.78; 1036.42] J/mol×K [953.03; 1179.98] Show Hide
Cp,gas 978.78 J/mol×K 953.03 Joback Calculated Property
Cp,gas 991.67 J/mol×K 990.85 Joback Calculated Property
Cp,gas 1003.16 J/mol×K 1028.68 Joback Calculated Property
Cp,gas 1013.31 J/mol×K 1066.50 Joback Calculated Property
Cp,gas 1022.20 J/mol×K 1104.33 Joback Calculated Property
Cp,gas 1029.88 J/mol×K 1142.15 Joback Calculated Property
Cp,gas 1036.42 J/mol×K 1179.98 Joback 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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