Chemical Properties of 3-Chloro-2-fluorobenzoic acid, 3-ethylphenyl ester

3-Chloro-2-fluorobenzoic acid, 3-ethylphenyl ester

InChI
InChI=1S/C15H12ClFO2/c1-2-10-5-3-6-11(9-10)19-15(18)12-7-4-8-13(16)14(12)17/h3-9H,2H2,1H3
InChI Key
QVKNACNKMFVVOS-UHFFFAOYSA-N
Formula
C15H12ClFO2
SMILES
CCc1cccc(OC(=O)c2cccc(Cl)c2F)c1
Molecular Weight1
278.71
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° 33.17 kJ/mol Joback Calculated Property
logPoct/wat 4.261 Crippen Calculated Property
McVol 196.140 ml/mol McGowan Calculated Property
Inp [2105.00; 2105.00]   Show Hide
Inp 2105.00 NIST
Inp 2105.00 NIST
Tboil 604.11 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, 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 [493.17; 558.59] J/mol×K [706.02; 936.55] Show Hide
Cp,gas 493.17 J/mol×K 706.02 Joback Calculated Property
Cp,gas 506.69 J/mol×K 744.44 Joback Calculated Property
Cp,gas 519.11 J/mol×K 782.86 Joback Calculated Property
Cp,gas 530.48 J/mol×K 821.28 Joback Calculated Property
Cp,gas 540.83 J/mol×K 859.70 Joback Calculated Property
Cp,gas 550.19 J/mol×K 898.12 Joback Calculated Property
Cp,gas 558.59 J/mol×K 936.55 Joback Calculated Property

Similar Compounds

2-Fluorobenzoic acid, 3-ethylphenyl ester. 2,4-Difluorobenzoic acid, 3-ethylphenyl ester. 3-Chloro-2-fluorobenzoic acid, 4-isopropylphenyl ester. 3-Chloro-2-fluorobenzoic acid, 3-methylphenyl ester. 3-Chloro-2-fluorobenzoic acid, 2-propylphenyl ester. 2-Chlorobenzoic acid, 3-ethylphenyl ester. 3-Chloro-2-fluorobenzoic acid, 3,4-dimethylphenyl ester. 3-Chloro-2-fluorobenzoic acid, 4-benzyloxyphenyl ester. 3-Chloro-2-fluorobenzoic acid, 3,5-dimethylphenyl ester. 3-Chloro-2-fluorobenzoic acid, 2-(1-phenyleth-1-yl)-4-methoxyphenyl ester. 3-Chloro-2-fluorobenzoic acid, 2,3-dimethylphenyl ester. Pentafluorobenzoic acid, 3-ethylphenyl ester. Benzoic acid, 3-ethylphenyl ester. 1-Naphthoic acid, 3-ethylphenyl ester. 2-Fluorobenzoic acid, 2-propylphenyl ester.

Find more compounds similar to 3-Chloro-2-fluorobenzoic acid, 3-ethylphenyl 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.