Chemical Properties of Sebacic acid, ethyl 3-methoxy-4-nitrobenzyl ester

Sebacic acid, ethyl 3-methoxy-4-nitrobenzyl ester

InChI
InChI=1S/C20H29NO7/c1-3-27-19(22)10-8-6-4-5-7-9-11-20(23)28-15-16-12-13-17(21(24)25)18(14-16)26-2/h12-14H,3-11,15H2,1-2H3
InChI Key
RUICCFHXEWCEGL-UHFFFAOYSA-N
Formula
C20H29NO7
SMILES
CCOC(=O)CCCCCCCCC(=O)OCc1ccc([N+](=O)[O-])c(OC)c1
Molecular Weight1
395.45
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
ΔfusH° 62.11 kJ/mol Joback Calculated Property
log10WS -5.20 Relay (1.0) Calculated Property
logPoct/wat 4.330 Crippen Calculated Property
McVol 307.070 ml/mol McGowan Calculated Property
Inp [3017.00; 3017.00]   Show Hide
Inp 3017.00 NIST
Inp 3017.00 NIST
Tboil 665.74 K Relay (1.0) Calculated Property
Tc 907.71 K Relay (1.0) Calculated Property
Tfus 314.28 K Relay (1.0) Calculated Property

Cheméo can also estimate 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 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 [1002.51; 1048.06] J/mol×K [984.54; 1207.85] Show Hide
Cp,gas 1002.51 J/mol×K 984.54 Joback Calculated Property
Cp,gas 1014.03 J/mol×K 1021.76 Joback Calculated Property
Cp,gas 1023.97 J/mol×K 1058.98 Joback Calculated Property
Cp,gas 1032.32 J/mol×K 1096.20 Joback Calculated Property
Cp,gas 1039.11 J/mol×K 1133.41 Joback Calculated Property
Cp,gas 1044.35 J/mol×K 1170.63 Joback Calculated Property
Cp,gas 1048.06 J/mol×K 1207.85 Joback Calculated Property

Similar Compounds

Glutaric acid, 3-methoxy-4-nitrobenzyl ethyl ester. Glutaric acid, pentyl 3-methoxy-4-nitrobenzyl ester. Glutaric acid, propyl 3-methoxy-4-nitrobenzyl ester. Succinic acid, hexyl 3-methoxy-4-nitrobenzyl ester. Succinic acid, heptyl 3-methoxy-4-nitrobenzyl ester. Glutaric acid, 3-methoxy-4-nitrobenzyl butyl ester. Succinic acid, 3-methoxy-4-nitrobenzyl pentyl ester. Succinic acid, butyl 3-methoxy-4-nitrobenzyl ester. Sebacic acid, ethyl 4-methoxy-3-nitrobenzyl ester. Succinic acid, 3-methoxy-4-nitrobenzyl 2-methylhex-3-yl ester. Glutaric acid, ethyl 3-nitro-4-methoxybenzyl ester. Glutaric acid, hexyl 3-nitro-4-methoxybenzyl ester. Glutaric acid, 3-nitro-4-methoxybenzyl nonyl ester. Glutaric acid, 3-nitro-4-methoxybenzyl octyl ester. Glutaric acid, decyl 3-nitro-4-methoxybenzyl ester.

Find more compounds similar to Sebacic acid, ethyl 3-methoxy-4-nitrobenzyl ester.

Sources

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.