Chemical Properties of 2,5-Di(trifluoromethyl)benzoic acid, cyclohexylmethyl ester

2,5-Di(trifluoromethyl)benzoic acid, cyclohexylmethyl ester

InChI
InChI=1S/C16H16F6O2/c17-15(18,19)11-6-7-13(16(20,21)22)12(8-11)14(23)24-9-10-4-2-1-3-5-10/h6-8,10H,1-5,9H2
InChI Key
XMTSLUJPILXFKS-UHFFFAOYSA-N
Formula
C16H16F6O2
SMILES
O=C(OCC1CCCCC1)c1cc(C(F)(F)F)ccc1C(F)(F)F
Molecular Weight1
354.29
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° 30.32 kJ/mol Joback Calculated Property
logPoct/wat 5.461 Crippen Calculated Property
McVol 219.740 ml/mol McGowan Calculated Property
Inp 1614.00 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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [638.99; 721.48] J/mol×K [669.25; 864.16] Show Hide
Cp,gas 638.99 J/mol×K 669.25 Joback Calculated Property
Cp,gas 655.56 J/mol×K 701.73 Joback Calculated Property
Cp,gas 670.93 J/mol×K 734.22 Joback Calculated Property
Cp,gas 685.14 J/mol×K 766.70 Joback Calculated Property
Cp,gas 698.27 J/mol×K 799.19 Joback Calculated Property
Cp,gas 710.36 J/mol×K 831.67 Joback Calculated Property
Cp,gas 721.48 J/mol×K 864.16 Joback Calculated Property

Similar Compounds

2,5-Di(trifluoromethyl)benzoic acid, 2-ethylhexyl ester. 2,5-Di(trifluoromethyl)benzoic acid, isohexyl ester. 2,5-Di(trifluoromethyl)benzoic acid, 2-methylbutyl ester. 2-Trifluoromethylbenzoic acid, 2-methylpentyl ester. 5-Fluoro-2-trifluoromethylbenzoic acid, cyclohexylmethyl ester. 2,5-Di(trifluoromethyl)benzoic acid, heptyl ester. 2,5-Di(trifluoromethyl)benzoic acid, octyl ester. 2,5-Di(trifluoromethyl)benzoic acid, undecyl ester. 2,5-Di(trifluoromethyl)benzoic acid, eicosyl ester. 2,5-Di(trifluoromethyl)benzoic acid, hexadecyl ester. 2,5-Di(trifluoromethyl)benzoic acid, pentadecyl ester. 2,5-Di(trifluoromethyl)benzoic acid, nonyl ester. 2,5-Di(trifluoromethyl)benzoic acid, teradecyl ester. 2,5-Di(trifluoromethyl)benzoic acid, heptadecyl ester. 2,5-Di(trifluoromethyl)benzoic acid, nonadecyl ester.

Find more compounds similar to 2,5-Di(trifluoromethyl)benzoic acid, cyclohexylmethyl 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.