Chemical Properties of Sebacic acid, 3-nitro-4-fluorobenzyl propyl ester

Sebacic acid, 3-nitro-4-fluorobenzyl propyl ester

InChI
InChI=1S/C20H28FNO6/c1-2-13-27-19(23)9-7-5-3-4-6-8-10-20(24)28-15-16-11-12-17(21)18(14-16)22(25)26/h11-12,14H,2-10,13,15H2,1H3
InChI Key
FNNJYXYVZVQBTL-UHFFFAOYSA-N
Formula
C20H28FNO6
SMILES
CCCOC(=O)CCCCCCCCC(=O)OCc1ccc(F)c([N+](=O)[O-])c1
Molecular Weight1
397.44
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° 64.00 kJ/mol Joback Calculated Property
ΔvapH° 112.18 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 4.851 Crippen Calculated Property
McVol 302.970 ml/mol McGowan Calculated Property
Inp [2889.00; 2889.00]   Show Hide
Inp 2889.00 NIST
Inp 2889.00 NIST
Tboil 652.82 K Relay (1.0) Calculated Property
Tfus 301.20 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, 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 [983.12; 1036.28] J/mol×K [961.39; 1179.56] Show Hide
Cp,gas 983.12 J/mol×K 961.39 Joback Calculated Property
Cp,gas 995.35 J/mol×K 997.75 Joback Calculated Property
Cp,gas 1006.19 J/mol×K 1034.11 Joback Calculated Property
Cp,gas 1015.67 J/mol×K 1070.47 Joback Calculated Property
Cp,gas 1023.82 J/mol×K 1106.84 Joback Calculated Property
Cp,gas 1030.68 J/mol×K 1143.20 Joback Calculated Property
Cp,gas 1036.28 J/mol×K 1179.56 Joback Calculated Property

Similar Compounds

Sebacic acid, butyl 3-nitro-4-fluorobenzyl ester. Sebacic acid, hexyl 3-nitro-4-fluorobenzyl ester. Sebacic acid, heptyl 3-nitro-4-fluorobenzyl ester. Sebacic acid, 3-nitro-4-fluorobenzyl pentyl ester. Sebacic acid, ethyl 3-nitro-4-fluorobenzyl ester. Sebacic acid, isobutyl 3-nitro-4-fluorobenzyl ester. Succinic acid, 4-fluoro-3-nitrobenzyl hexyl ester. Succinic acid, 4-fluoro-3-nitrobenzyl pentyl ester. Succinic acid, butyl 4-fluoro-3-nitrobenzyl ester. Succinic acid, 4-fluoro-3-nitrobenzyl isobutyl ester. Sebacic acid, 3-nitro-4-chlorobenzyl propyl ester. Glutaric acid, 3-nitrobenzyl nonyl ester. Glutaric acid, heptyl 3-nitrobenzyl ester. Glutaric acid, 3-nitrobenzyl octyl ester. Glutaric acid, decyl 3-nitrobenzyl ester.

Find more compounds similar to Sebacic acid, 3-nitro-4-fluorobenzyl propyl 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.