Chemical Properties of 3,4-Dimethylphenol, pentafluorobenzoyl ester

3,4-Dimethylphenol, pentafluorobenzoyl ester

InChI
InChI=1S/C15H9F5O2/c1-6-3-4-8(5-7(6)2)22-15(21)9-10(16)12(18)14(20)13(19)11(9)17/h3-5H,1-2H3
InChI Key
BSTAMMRKQQEVQJ-UHFFFAOYSA-N
Formula
C15H9F5O2
SMILES
Cc1ccc(OC(=O)c2c(F)c(F)c(F)c(F)c2F)cc1C
Molecular Weight1
316.22
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° 39.73 kJ/mol Joback Calculated Property
IE 8.56 eV Relay (1.0) Calculated Property
logPoct/wat 4.218 Crippen Calculated Property
McVol 190.980 ml/mol McGowan Calculated Property
Inp [1708.00; 1714.40]   Show Hide
Inp 1708.00 NIST
Inp 1710.90 NIST
Inp 1714.40 NIST
Inp 1708.00 NIST
Tboil 569.75 K Relay (1.0) Calculated Property
Tfus 330.55 K Relay (1.0) Calculated Property

Cheméo can also estimate 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, 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 [495.75; 554.94] J/mol×K [685.59; 881.40] Show Hide
Cp,gas 495.75 J/mol×K 685.59 Joback Calculated Property
Cp,gas 507.42 J/mol×K 718.23 Joback Calculated Property
Cp,gas 518.37 J/mol×K 750.86 Joback Calculated Property
Cp,gas 528.59 J/mol×K 783.50 Joback Calculated Property
Cp,gas 538.09 J/mol×K 816.13 Joback Calculated Property
Cp,gas 546.87 J/mol×K 848.77 Joback Calculated Property
Cp,gas 554.94 J/mol×K 881.40 Joback Calculated Property

Similar Compounds

3-Methylphenol, pentafluorobenzoyl ester. Pentafluorobenzoic acid, 2,3-dimethylphenyl ester. 4-Methylphenol, pentafluorobenzoyl ester. 2,4-Dimethylphenol, pentafluorobenzoyl ester. 2-Methylphenol, pentafluorobenzoyl ester. 2,5-Dimethylphenol, pentafluorobenzoyl ester. 3-Methyl-4-isopropylphenol, pentafluorobenzoyl ester. 3,5-Dimethylphenol, pentafluorobenzoyl ester. 2,3,5-Trimethylphenol, pentafluorobenzoyl ester. Pentafluorobenzoic acid, 3-ethylphenyl ester. 2,3,6-Trimethylphenol, pentafluorobenzoyl ester. 2,6-Difluoro-3-methylbenzoic acid, 3,4-dimethylphenyl ester. 2,3,4-Trifluorobenzoic acid, 3-methylphenyl ester. 4-Ethylphenol, pentafluorobenzoyl ester. 3-Chloro-2-fluorobenzoic acid, 3,4-dimethylphenyl ester.

Find more compounds similar to 3,4-Dimethylphenol, pentafluorobenzoyl 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.