Chemical Properties of 3-Bromobenzoic acid, 5-fluoro-2-nitrophenyl ester

3-Bromobenzoic acid, 5-fluoro-2-nitrophenyl ester

InChI
InChI=1S/C13H7BrFNO4/c14-9-3-1-2-8(6-9)13(17)20-12-7-10(15)4-5-11(12)16(18)19/h1-7H
InChI Key
SWPIYHGPBHSHRR-UHFFFAOYSA-N
Formula
C13H7BrFNO4
SMILES
O=C(Oc1cc(F)ccc1[N+](=O)[O-])c1cccc(Br)c1
Molecular Weight1
340.10
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° 38.85 kJ/mol Joback Calculated Property
logPoct/wat 3.716 Crippen Calculated Property
McVol 190.640 ml/mol McGowan Calculated Property
Inp [2247.80; 2247.80]   Show Hide
Inp 2247.80 NIST
Inp 2247.80 NIST
Tboil 624.35 K Relay (1.0) Calculated Property
Tfus 346.77 K Relay (1.0) Calculated Property

Cheméo can also estimate 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 [488.27; 528.33] J/mol×K [858.70; 1124.57] Show Hide
Cp,gas 488.27 J/mol×K 858.70 Joback Calculated Property
Cp,gas 497.38 J/mol×K 903.01 Joback Calculated Property
Cp,gas 505.44 J/mol×K 947.32 Joback Calculated Property
Cp,gas 512.50 J/mol×K 991.63 Joback Calculated Property
Cp,gas 518.63 J/mol×K 1035.94 Joback Calculated Property
Cp,gas 523.89 J/mol×K 1080.25 Joback Calculated Property
Cp,gas 528.33 J/mol×K 1124.57 Joback Calculated Property

Similar Compounds

4-Cyanobenzoic acid, 5-fluoro-2-nitrophenyl ester. p-Toluic acid, 5-fluoro-2-nitrophenyl ester. 3-Chlorobenzoic acid, 2-nitro-5-fluorophenyl ester. m-Methoxybenzoic acid, 5-fluoro-2-nitrophenyl ester. p-Methoxybenzoic acid, 5-fluoro-2-nitrophenyl ester. 2,5-Difluorobenzoic acid, 2-nitro-5-fluorophenyl ester. o-Methoxybenzoic acid, 5-fluoro-2-nitrophenyl ester. 2,4-Difluorobenzoic acid, 2-nitro-5-fluorophenyl ester. Isophthalic acid, ethyl 2-nitro-5-fluorophenyl ester. 3-Fluoro-4-trifluoromethylbenzoic acid, 2-nitro-5-fluorophenyl ester. 3-Chloro-2-fluorobenzoic acid, 2-nitro-5-fluorophenyl ester. 2-Fluoro-3-trifluoromethylbenzoic acid, 2-nitro-5-fluorophenyl ester. Isophthalic acid, 2-nitro-5-fluorophenyl propyl ester. Isophthalic acid, butyl 2-nitro-5-fluorophenyl ester. Isophthalic acid, isobutyl 2-nitro-5-fluorophenyl ester.

Find more compounds similar to 3-Bromobenzoic acid, 5-fluoro-2-nitrophenyl 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.