Chemical Properties of Diethylmalonic acid, 2-nitrophenyl octyl ester

Diethylmalonic acid, 2-nitrophenyl octyl ester

InChI
InChI=1S/C21H31NO6/c1-4-7-8-9-10-13-16-27-19(23)21(5-2,6-3)20(24)28-18-15-12-11-14-17(18)22(25)26/h11-12,14-15H,4-10,13,16H2,1-3H3
InChI Key
IYPMHGHMPRPPJF-UHFFFAOYSA-N
Formula
C21H31NO6
SMILES
CCCCCCCCOC(=O)C(CC)(CC)C(=O)Oc1ccccc1[N+](=O)[O-]
Molecular Weight1
393.48
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Physical Properties

Property Value Unit Source
ΔfusH° 56.48 kJ/mol Joback Calculated Property
log10WS -5.66 Relay (1.0) Calculated Property
logPoct/wat 5.210 Crippen Calculated Property
McVol 315.290 ml/mol McGowan Calculated Property
Pc 1208.15 kPa Joback Calculated Property
Inp 2646.00 NIST
Tboil 643.23 K Relay (1.0) Calculated Property
Tfus 305.09 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 [1036.95; 1095.13] J/mol×K [976.79; 1201.54] Show Hide
Cp,gas 1036.95 J/mol×K 976.79 Joback Calculated Property
Cp,gas 1049.82 J/mol×K 1014.25 Joback Calculated Property
Cp,gas 1061.32 J/mol×K 1051.71 Joback Calculated Property
Cp,gas 1071.54 J/mol×K 1089.16 Joback Calculated Property
Cp,gas 1080.53 J/mol×K 1126.62 Joback Calculated Property
Cp,gas 1088.37 J/mol×K 1164.08 Joback Calculated Property
Cp,gas 1095.13 J/mol×K 1201.54 Joback Calculated Property

Similar Compounds

Diethylmalonic acid, heptyl 2-nitrophenyl 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, 2-nitrophenyl octyl ester.

Sources

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