Chemical Properties of 3,4-Difluorobenzoic acid, 2-(1-phenyleth-1-yl)-4-methoxyphenyl ester

3,4-Difluorobenzoic acid, 2-(1-phenyleth-1-yl)-4-methoxyphenyl ester

InChI
InChI=1S/C22H18F2O3/c1-14(15-6-4-3-5-7-15)18-13-17(26-2)9-11-21(18)27-22(25)16-8-10-19(23)20(24)12-16/h3-14H,1-2H3
InChI Key
VLBBGPHBSAAOFB-UHFFFAOYSA-N
Formula
C22H18F2O3
SMILES
COc1ccc(OC(=O)c2ccc(F)c(F)c2)c(C(C)c2ccccc2)c1
Molecular Weight1
368.37
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° 41.50 kJ/mol Joback Calculated Property
logPoct/wat 5.344 Crippen Calculated Property
McVol 266.410 ml/mol McGowan Calculated Property
Inp [2584.00; 2584.00]   Show Hide
Inp 2584.00 NIST
Inp 2584.00 NIST

Cheméo can also estimate Normal Boiling Point Temperature, 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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [358.44; 827.88] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A-2.20000e-01
Coefficient B1.53064e+00
Coefficient C-8.28840e-04
Coefficient D1.26300e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 358.44 J/mol×K 273.00 Calculated Property
Cp,gas 443.14 J/mol×K 353.78 Calculated Property
Cp,gas 518.78 J/mol×K 434.56 Calculated Property
Cp,gas 585.74 J/mol×K 515.33 Calculated Property
Cp,gas 644.44 J/mol×K 596.11 Calculated Property
Cp,gas 695.27 J/mol×K 676.89 Calculated Property
Cp,gas 738.63 J/mol×K 757.67 Calculated Property
Cp,gas 774.91 J/mol×K 838.44 Calculated Property
Cp,gas 804.53 J/mol×K 919.22 Calculated Property
Cp,gas 827.88 J/mol×K 1000.00 Calculated Property

Similar Compounds

2,4-Difluorobenzoic acid, 2-(1-phenyleth-1-yl)-4-methoxyphenyl ester. 2,5-Difluorobenzoic acid, 2-(1-phenyleth-1-yl)-4-methoxyphenyl ester. 3-Fluoro-6-trifluoromethylbenzoic acid, 2-(1-phenyleth-1-yl)-4-methoxyphenyl ester. 4-Fluoro-2-trifluoromethylbenzoic acid, 2-(1-phenyleth-1-yl)-4-methoxyphenyl ester. Benzoic acid, 2-(1-phenylethyl)-4-methoxyphenyl ester. 3-Chloro-2-fluorobenzoic acid, 2-(1-phenyleth-1-yl)-4-methoxyphenyl ester. 3-Fluoro-5-trifluoromethylbenzoic acid, 2-(1-phenyleth-1-yl)-4-methoxyphenyl ester. 2,4,5-Trifluoro-3-methoxybenzoic acid, 2-(1-phenyleth-1-yl)-4-methoxyphenyl ester. 2,6-Difluoro-3-methylbenzoic acid, 2-(1-phenyleth-1-yl)-4-methoxyphenyl ester. 3-Chlorobenzoic acid, 2-(1-phenylethyl)-4-methoxyphenyl ester. 2-Fluoro-6-trifluoromethylbenzoic acid, 2-(1-phenyleth-1-yl)-4-methoxyphenyl ester. Argentamin. 2'-Deoxyadenosine, 3',5',N6-tris(O-TMTBSi). cis-1,2-Tetralinediol, ferrocenylboronate. 1,2,3,4-Tetrahydroanthracene-cis-1,2-diol, ferrocenylboronate.

Find more compounds similar to 3,4-Difluorobenzoic acid, 2-(1-phenyleth-1-yl)-4-methoxyphenyl 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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.