Chemical Properties of 2,6-Difluoro-3-methylbenzoic acid, 3,4-dimethylphenyl ester

2,6-Difluoro-3-methylbenzoic acid, 3,4-dimethylphenyl ester

InChI
InChI=1S/C16H14F2O2/c1-9-4-6-12(8-11(9)3)20-16(19)14-13(17)7-5-10(2)15(14)18/h4-8H,1-3H3
InChI Key
VFFYBIRRBXKHJW-UHFFFAOYSA-N
Formula
C16H14F2O2
SMILES
Cc1ccc(OC(=O)c2c(F)ccc(C)c2F)cc1C
Molecular Weight1
276.28
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° 33.86 kJ/mol Joback Calculated Property
logPoct/wat 4.109 Crippen Calculated Property
McVol 199.760 ml/mol McGowan Calculated Property
Inp [2057.00; 2057.00]   Show Hide
Inp 2057.00 NIST
Inp 2057.00 NIST
Tfus 335.28 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 [525.69; 596.36] J/mol×K [700.70; 916.60] Show Hide
Cp,gas 525.69 J/mol×K 700.70 Joback Calculated Property
Cp,gas 539.87 J/mol×K 736.68 Joback Calculated Property
Cp,gas 553.07 J/mol×K 772.67 Joback Calculated Property
Cp,gas 565.30 J/mol×K 808.65 Joback Calculated Property
Cp,gas 576.58 J/mol×K 844.63 Joback Calculated Property
Cp,gas 586.93 J/mol×K 880.62 Joback Calculated Property
Cp,gas 596.36 J/mol×K 916.60 Joback Calculated Property

Similar Compounds

2,6-Difluoro-3-methylbenzoic acid, 3-methylphenyl ester. 2,6-Difluoro-3-methylbenzoic acid, 3,5-dimethylphenyl ester. 2,6-Difluoro-3-methylbenzoic acid, phenyl ester. 2,6-Difluoro-3-methylbenzoic acid, 4-chlorophenyl ester. 2,6-Difluoro-3-methylbenzoic acid, 4-chloro-2-methylphenyl ester. 2,6-Difluoro-3-methylbenzoic acid, 4-methoxyphenyl ester. 2,6-Difluoro-3-methylbenzoic acid, 4-benzyloxyphenyl ester. 2,6-Difluoro-3-methylbenzoic acid, 3-fluorophenyl ester. 2,6-Difluoro-3-methylbenzoic acid, 3,4-dichlorophenyl ester. 2,6-Difluoro-3-methylbenzoic acid, 4-nitrophenyl ester. 2,6-Difluoro-3-methylbenzoic acid, 4-isopropylphenyl ester. 6-Fluoro-3-trifluoromethylbenzoic acid, 3,4-dimethylphenyl ester. 2,6-Difluoro-3-methylbenzoic acid, 3,5-difluophenyl ester. 2,6-Difluorobenzoic acid, 3-methylphenyl ester. 2,6-Difluoro-3-methylbenzoic acid, 2,3-dichlorophenyl ester.

Find more compounds similar to 2,6-Difluoro-3-methylbenzoic acid, 3,4-dimethylphenyl 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.