Chemical Properties of Diethylmalonic acid, heptyl 2-nitrophenyl ester

Diethylmalonic acid, heptyl 2-nitrophenyl ester

InChI
InChI=1S/C20H29NO6/c1-4-7-8-9-12-15-26-18(22)20(5-2,6-3)19(23)27-17-14-11-10-13-16(17)21(24)25/h10-11,13-14H,4-9,12,15H2,1-3H3
InChI Key
QJHGIGRMZLBGAZ-UHFFFAOYSA-N
Formula
C20H29NO6
SMILES
CCCCCCCOC(=O)C(CC)(CC)C(=O)Oc1ccccc1[N+](=O)[O-]
Molecular Weight1
379.45
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Physical Properties

Property Value Unit Source
ΔfusH° 53.89 kJ/mol Joback Calculated Property
log10WS -5.34 Relay (1.0) Calculated Property
logPoct/wat 4.820 Crippen Calculated Property
McVol 301.200 ml/mol McGowan Calculated Property
Pc 1293.00 kPa Joback Calculated Property
Inp [2552.00; 2552.00]   Show Hide
Inp 2552.00 NIST
Inp 2552.00 NIST
Tboil 636.21 K Relay (1.0) Calculated Property
Tfus 303.66 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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 [977.86; 1035.92] J/mol×K [953.91; 1177.31] Show Hide
Cp,gas 977.86 J/mol×K 953.91 Joback Calculated Property
Cp,gas 990.65 J/mol×K 991.14 Joback Calculated Property
Cp,gas 1002.12 J/mol×K 1028.38 Joback Calculated Property
Cp,gas 1012.31 J/mol×K 1065.61 Joback Calculated Property
Cp,gas 1021.30 J/mol×K 1102.84 Joback Calculated Property
Cp,gas 1029.15 J/mol×K 1140.08 Joback Calculated Property
Cp,gas 1035.92 J/mol×K 1177.31 Joback Calculated Property

Similar Compounds

Diethylmalonic acid, 2-nitrophenyl octyl ester. Diethylmalonic acid, hexyl 2-nitrophenyl ester. Diethylmalonic acid, 2-nitrophenyl pentyl ester. Diethylmalonic acid, butyl 2-nitrophenyl ester. Diethylmalonic acid, 2-nitrophenyl propyl ester. Diethylmalonic acid, isobutyl 2-nitrophenyl ester. Diethylmalonic acid, 3-nitrophenyl pentyl ester. Diethylmalonic acid, heptyl 4-nitrophenyl ester. Diethylmalonic acid, decyl 4-nitrophenyl ester. Diethylmalonic acid, 4-nitrophenyl nonyl ester. Diethylmalonic acid, 4-nitrophenyl octyl ester. Diethylmalonic acid, hexyl 4-nitrophenyl ester. Diethylmalonic acid, 4-nitrophenyl pentyl ester. Diethylmalonic acid, butyl 3-nitrophenyl ester. Glutaric acid, 2-ethylhexyl 2-nitrophenyl ester.

Find more compounds similar to Diethylmalonic acid, heptyl 2-nitrophenyl ester.

Sources

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