Chemical Properties of 2-(Methylthio)benzoic acid, 2-fluoro-6-(trifluoromethyl)benzyl ester

2-(Methylthio)benzoic acid, 2-fluoro-6-(trifluoromethyl)benzyl ester

InChI
InChI=1S/C16H12F4O2S/c1-23-14-8-3-2-5-10(14)15(21)22-9-11-12(16(18,19)20)6-4-7-13(11)17/h2-8H,9H2,1H3
InChI Key
XASZMTMZNBGJKW-UHFFFAOYSA-N
Formula
C16H12F4O2S
SMILES
CSc1ccccc1C(=O)OCc1c(F)cccc1C(F)(F)F
Molecular Weight1
344.32
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° 37.52 kJ/mol Joback Calculated Property
logPoct/wat 4.923 Crippen Calculated Property
McVol 219.650 ml/mol McGowan Calculated Property
Inp 2157.00 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 [306.22; 663.06] 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 A8.33100e+00
Coefficient B1.30011e+00
Coefficient C-8.10480e-04
Coefficient D1.65100e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 306.22 J/mol×K 273.00 Calculated Property
Cp,gas 374.15 J/mol×K 353.78 Calculated Property
Cp,gas 433.80 J/mol×K 434.56 Calculated Property
Cp,gas 485.68 J/mol×K 515.33 Calculated Property
Cp,gas 530.31 J/mol×K 596.11 Calculated Property
Cp,gas 568.22 J/mol×K 676.89 Calculated Property
Cp,gas 599.93 J/mol×K 757.67 Calculated Property
Cp,gas 625.96 J/mol×K 838.44 Calculated Property
Cp,gas 646.83 J/mol×K 919.22 Calculated Property
Cp,gas 663.06 J/mol×K 1000.00 Calculated Property

Similar Compounds

4-(Methylthio)benzoic acid, 2-fluoro-6-(trifluoromethyl)benzyl ester. 2-(Methylthio)benzoic acid, 2-(trifluoromethyl)benzyl ester. 3-Methoxybenzoic acid, 2-fluoro-6-(trifluoromethyl)benzyl ester. Terephthalic acid, 2-fluoro-6-(trifluoromethyl)benzyl isobutyl ester. Terephthalic acid, 2-fluoro-6-(trifluoromethyl)benzyl pentyl ester. Terephthalic acid, di(2-fluoro-6-(trifluoromethyl)benzyl) ester. Terephthalic acid, decyl 2-fluoro-6-(trifluoromethyl)benzyl ester. Terephthalic acid, 2-fluoro-6-(trifluoromethyl)benzyl nonyl ester. Terephthalic acid, 2-fluoro-6-(trifluoromethyl)benzyl heptyl ester. Terephthalic acid, 2-fluoro-6-(trifluoromethyl)benzyl octyl ester. Terephthalic acid, 2-fluoro-6-(trifluoromethyl)benzyl hexyl ester. Terephthalic acid, 2-fluoro-6-(trifluoromethyl)benzyl propyl ester. Lysergol. 4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide. 9H-Purin-2-amine, N-(trimethylsilyl)-6-[(trimethylsilyl)oxy]-9-[2,3,5-tris-O-(trimethylsilyl)-«beta»-D-ribofuranosyl]-.

Find more compounds similar to 2-(Methylthio)benzoic acid, 2-fluoro-6-(trifluoromethyl)benzyl 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.