Chemical Properties of 2,4-Dimethylpentan-3-yl 2,3,4,5,6-pentafluorobenzoate

2,4-Dimethylpentan-3-yl 2,3,4,5,6-pentafluorobenzoate

InChI
InChI=1S/C14H15F5O2/c1-5(2)13(6(3)4)21-14(20)7-8(15)10(17)12(19)11(18)9(7)16/h5-6,13H,1-4H3
InChI Key
PDADNVLCYCMZTB-UHFFFAOYSA-N
Formula
C14H15F5O2
SMILES
CC(C)C(OC(=O)c1c(F)c(F)c(F)c(F)c1F)C(C)C
Molecular Weight1
310.26
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° 31.73 kJ/mol Joback Calculated Property
IE 9.66 eV Relay (1.0) Calculated Property
logPoct/wat 4.220 Crippen Calculated Property
McVol 200.650 ml/mol McGowan Calculated Property
Inp [1406.00; 1406.00]   Show Hide
Inp 1406.00 NIST
Inp 1406.00 NIST
Tboil 519.87 K Relay (1.0) Calculated Property

Cheméo can also estimate 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, 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 [533.65; 603.55] J/mol×K [642.62; 819.55] Show Hide
Cp,gas 533.65 J/mol×K 642.62 Joback Calculated Property
Cp,gas 546.84 J/mol×K 672.11 Joback Calculated Property
Cp,gas 559.41 J/mol×K 701.60 Joback Calculated Property
Cp,gas 571.37 J/mol×K 731.08 Joback Calculated Property
Cp,gas 582.71 J/mol×K 760.57 Joback Calculated Property
Cp,gas 593.44 J/mol×K 790.06 Joback Calculated Property
Cp,gas 603.55 J/mol×K 819.55 Joback Calculated Property

Similar Compounds

3-Methylbutan-2-yl 2,3,4,5,6-pentafluorobenzoate. 4-Methylpentan-2-yl 2,3,4,5,6-pentafluorobenzoate. Pentafluorobenzoic acid, 2-methylpentyl ester. Pentafluorobenzoic acid, 2-pentyl ester. Pentafluorobenzoic acid, 2-butyl ester. Decan-2-yl 2,3,4,5,6-pentafluorobenzoate. Octan-2-yl 2,3,4,5,6-pentafluorobenzoate. Pentafluorobenzoic acid, 4-methoxy-2-methylbutyl ester. Pentafluorobenzoic acid, 2-methyloct-5-yn-4-yl ester. Pentafluorobenzoic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. 3-Methylpentan-3-yl 2,3,4,5,6-pentafluorobenzoate. Pentafluorobenzoic acid, 2-methylpropyl ester. 3-Methoxy-2,4,5-trifluorobenzoic acid, 3-methylbutyl-2 ester. Pentafluorobenzoic acid, hex-4-yn-3-yl ester. Pentafluorobenzoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester.

Find more compounds similar to 2,4-Dimethylpentan-3-yl 2,3,4,5,6-pentafluorobenzoate.

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.