Chemical Properties of Glutaric acid, 2,4,6-trichlorophenyl 3-nitrobenzyl ester

Glutaric acid, 2,4,6-trichlorophenyl 3-nitrobenzyl ester

InChI
InChI=1S/C18H14Cl3NO6/c19-12-8-14(20)18(15(21)9-12)28-17(24)6-2-5-16(23)27-10-11-3-1-4-13(7-11)22(25)26/h1,3-4,7-9H,2,5-6,10H2
InChI Key
XGDIQGXFASPMQQ-UHFFFAOYSA-N
Formula
C18H14Cl3NO6
SMILES
O=C(CCCC(=O)Oc1c(Cl)cc(Cl)cc1Cl)OCc1cccc([N+](=O)[O-])c1
Molecular Weight1
446.67
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° 61.59 kJ/mol Joback Calculated Property
logPoct/wat 5.374 Crippen Calculated Property
McVol 285.980 ml/mol McGowan Calculated Property
Inp [3364.00; 3364.00]   Show Hide
Inp 3364.00 NIST
Inp 3364.00 NIST
Tfus 337.64 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, 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, 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 [796.51; 807.33] J/mol×K [1065.29; 1320.54] Show Hide
Cp,gas 796.51 J/mol×K 1065.29 Joback Calculated Property
Cp,gas 801.41 J/mol×K 1107.83 Joback Calculated Property
Cp,gas 804.81 J/mol×K 1150.37 Joback Calculated Property
Cp,gas 806.78 J/mol×K 1192.92 Joback Calculated Property
Cp,gas 807.33 J/mol×K 1235.46 Joback Calculated Property
Cp,gas 806.52 J/mol×K 1278.00 Joback Calculated Property
Cp,gas 804.38 J/mol×K 1320.54 Joback Calculated Property

Similar Compounds

Glutaric acid, 2,3-dichlorophenyl 3-nitrobenzyl ester. Glutaric acid, 2-chloro-6-fluorophenyl 3-nitrobenzyl ester. Glutaric acid, 3-chlorophenyl 3-nitrobenzyl ester. Glutaric acid, 2-fluorophenyl 3-nitrobenzyl ester. Glutaric acid, naphth-2-ylmethyl 2,4-dichlorophenyl ester. Glutaric acid, 2,4,6-trichlorophenyl 4-chlorobenzyl ester. Glutaric acid, 2,3-dichlorophenyl (2-naphthyl)methyl ester. Glutaric acid, di(3-nitrobenzyl) ester. Glutaric acid, butyl 3-nitrobenzyl ester. Glutaric acid, cyclohexylmethyl 3-nitrobenzyl ester. Glutaric acid, 3-nitrobenzyl pentyl ester. Glutaric acid, tridec-2-yn-1-yl 3-nitrobenzyl ester. Glutaric acid, hexyl 3-nitrobenzyl ester. Glutaric acid, 2-ethylhexyl 3-nitrobenzyl ester. Glutaric acid, 3-nitrobenzyl octyl ester.

Find more compounds similar to Glutaric acid, 2,4,6-trichlorophenyl 3-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.