Chemical Properties of Glutaric acid, 3-chlorophenyl 3-nitrobenzyl ester

Glutaric acid, 3-chlorophenyl 3-nitrobenzyl ester

InChI
InChI=1S/C18H16ClNO6/c19-14-5-2-7-16(11-14)26-18(22)9-3-8-17(21)25-12-13-4-1-6-15(10-13)20(23)24/h1-2,4-7,10-11H,3,8-9,12H2
InChI Key
KFXCOUACLFYBNQ-UHFFFAOYSA-N
Formula
C18H16ClNO6
SMILES
O=C(CCCC(=O)Oc1cccc(Cl)c1)OCc1cccc([N+](=O)[O-])c1
Molecular Weight1
377.78
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° 53.98 kJ/mol Joback Calculated Property
ΔvapH° 125.38 kJ/mol Relay (1.0) Calculated Property
IE 8.89 eV Relay (1.0) Calculated Property
log10WS -5.17 Relay (1.0) Calculated Property
logPoct/wat 4.067 Crippen Calculated Property
McVol 261.500 ml/mol McGowan Calculated Property
Inp [3085.00; 3085.00]   Show Hide
Inp 3085.00 NIST
Inp 3085.00 NIST
Tboil 680.27 K Relay (1.0) Calculated Property
Tfus 327.48 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 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 [771.42; 800.59] J/mol×K [980.47; 1227.23] Show Hide
Cp,gas 771.42 J/mol×K 980.47 Joback Calculated Property
Cp,gas 779.74 J/mol×K 1021.60 Joback Calculated Property
Cp,gas 786.62 J/mol×K 1062.72 Joback Calculated Property
Cp,gas 792.09 J/mol×K 1103.85 Joback Calculated Property
Cp,gas 796.21 J/mol×K 1144.98 Joback Calculated Property
Cp,gas 799.03 J/mol×K 1186.10 Joback Calculated Property
Cp,gas 800.59 J/mol×K 1227.23 Joback Calculated Property

Similar Compounds

Glutaric acid, 2,3-dichlorophenyl 3-nitrobenzyl ester. Glutaric acid, 2,4,6-trichlorophenyl 3-nitrobenzyl ester. Glutaric acid, 2-fluorophenyl 3-nitrobenzyl ester. Glutaric acid, 2-chloro-6-fluorophenyl 3-nitrobenzyl ester. Glutaric acid, 3-chlorophenyl (2-naphthyl)methyl ester. Glutaric acid, 2,3-dichlorophenyl (2-naphthyl)methyl ester. Glutaric acid, naphth-2-ylmethyl 2,4-dichlorophenyl ester. Glutaric acid, 3-chlorophenyl 3-phenoxybenzyl ester. Glutaric acid, 2-methylhex-3-yl 3-nitrobenzyl ester. Sebacic acid, butyl 3-nitro-4-chlorobenzyl ester. Glutaric acid, 3-chlorophenyl 4-chlorobenzyl ester. Sebacic acid, 3-nitro-4-chlorobenzyl pentyl ester. Glutaric acid, naphth-2-ylmethyl 2-chloro-5-methylphenyl ester. Sebacic acid, ethyl 3-nitro-4-chlorobenzyl ester. Glutaric acid, 2-ethylhexyl 3-nitrobenzyl ester.

Find more compounds similar to Glutaric acid, 3-chlorophenyl 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.