Chemical Properties of 2-Fluoro-3-trifluoromethylbenzoic acid, 2-nitro-5-fluorophenyl ester

2-Fluoro-3-trifluoromethylbenzoic acid, 2-nitro-5-fluorophenyl ester

InChI
InChI=1S/C14H6F5NO4/c15-7-4-5-10(20(22)23)11(6-7)24-13(21)8-2-1-3-9(12(8)16)14(17,18)19/h1-6H
InChI Key
KOICMPRNQPBZSO-UHFFFAOYSA-N
Formula
C14H6F5NO4
SMILES
O=C(Oc1cc(F)ccc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1F
Molecular Weight1
347.19
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° 42.26 kJ/mol Joback Calculated Property
logPoct/wat 4.111 Crippen Calculated Property
McVol 194.310 ml/mol McGowan Calculated Property
Inp [1954.00; 1954.00]   Show Hide
Inp 1954.00 NIST
Inp 1954.00 NIST
Tfus 332.10 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 [543.53; 586.40] J/mol×K [796.38; 1021.83] Show Hide
Cp,gas 543.53 J/mol×K 796.38 Joback Calculated Property
Cp,gas 552.94 J/mol×K 833.96 Joback Calculated Property
Cp,gas 561.37 J/mol×K 871.53 Joback Calculated Property
Cp,gas 568.88 J/mol×K 909.11 Joback Calculated Property
Cp,gas 575.51 J/mol×K 946.68 Joback Calculated Property
Cp,gas 581.34 J/mol×K 984.26 Joback Calculated Property
Cp,gas 586.40 J/mol×K 1021.83 Joback Calculated Property

Similar Compounds

3-Fluoro-5-trifluoromethylbenzoic acid, 2-nitro-5-fluorophenyl ester. 3-Fluoro-4-trifluoromethylbenzoic acid, 2-nitro-5-fluorophenyl ester. 2,4-Difluorobenzoic acid, 2-nitro-5-fluorophenyl ester. 2-Fluoro-3-trifluoromethylbenzoic acid, 4-nitrophenyl ester. 4-Fluoro-2-trifluoromethylbenzoic acid, 2-nitro-5-fluorophenyl ester. 2,5-Difluorobenzoic acid, 2-nitro-5-fluorophenyl ester. 3-Chloro-2-fluorobenzoic acid, 2-nitro-5-fluorophenyl ester. 2,6-Difluoro-3-methylbenzoic acid, 2-nitro-5-fluorophenyl ester. Isophthalic acid, 2-nitro-5-fluorophenyl propyl ester. Isophthalic acid, isobutyl 2-nitro-5-fluorophenyl ester. Isophthalic acid, ethyl 2-nitro-5-fluorophenyl ester. 3-Bromobenzoic acid, 5-fluoro-2-nitrophenyl ester. 4-Cyanobenzoic acid, 5-fluoro-2-nitrophenyl ester. Isophthalic acid, butyl 2-nitro-5-fluorophenyl ester. m-Methoxybenzoic acid, 5-fluoro-2-nitrophenyl ester.

Find more compounds similar to 2-Fluoro-3-trifluoromethylbenzoic acid, 2-nitro-5-fluorophenyl 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.