Chemical Properties of Heptafluorobutyric acid, 2-isopropoxyphenyl ester

Heptafluorobutyric acid, 2-isopropoxyphenyl ester

InChI
InChI=1S/C13H11F7O3/c1-7(2)22-8-5-3-4-6-9(8)23-10(21)11(14,15)12(16,17)13(18,19)20/h3-7H,1-2H3
InChI Key
ROJCOPNQPRDSSD-UHFFFAOYSA-N
Formula
C13H11F7O3
SMILES
CC(C)Oc1ccccc1OC(=O)C(F)(F)C(F)(F)C(F)(F)F
Molecular Weight1
348.21
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° 22.85 kJ/mol Joback Calculated Property
log10WS -4.61 Relay (1.0) Calculated Property
logPoct/wat 4.212 Crippen Calculated Property
McVol 195.970 ml/mol McGowan Calculated Property
Inp [1221.00; 1221.00]   Show Hide
Inp 1221.00 NIST
Inp 1221.00 NIST
Tfus 274.57 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, 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 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 [535.98; 601.77] J/mol×K [611.97; 790.74] Show Hide
Cp,gas 535.98 J/mol×K 611.97 Joback Calculated Property
Cp,gas 549.02 J/mol×K 641.77 Joback Calculated Property
Cp,gas 561.17 J/mol×K 671.56 Joback Calculated Property
Cp,gas 572.48 J/mol×K 701.36 Joback Calculated Property
Cp,gas 582.98 J/mol×K 731.15 Joback Calculated Property
Cp,gas 592.73 J/mol×K 760.95 Joback Calculated Property
Cp,gas 601.77 J/mol×K 790.74 Joback Calculated Property

Similar Compounds

Catechol, bis(heptafluorobutyrate). Pyrocatechol, TFA-HFB. 2,6-Dimethoxyphenol,heptafluorobutyrate. 2-(2-Hydroxyethoxy)phenol, bis(heptafluorobutyrate). Pyrogallol, tris(heptafluorobutyrate). Vanillin, heptafluorobutyrate. Dimethylmalonic acid, di(2-isopropoxyphenyl) ester. 2-(2-Hydroxyethoxy)phenol, bis(pentafluoropropionate). Dimethylmalonic acid, monochloride, 2-isopropoxyphenyl ester. 4'-Hydroxy-3'-methoxyacetophenone, heptafluorobutyrate. 2-Methoxy-5-nitrophenol, heptafluorobutyrate. Succinic acid, 2-isopropoxyphenyl 2,2,3,3,4,4,4-heptafluorobutyl ester. Succinic acid, but-3-yn-2-yl 2-isopropoxyphenyl ester. Succinic acid, 1,1,1-trifluoroprop-2-yl 2-isopropoxyphenyl ester. 2-Hydroxy-3-methoxybenzaldehyde, heptafluorobutyrate.

Find more compounds similar to Heptafluorobutyric acid, 2-isopropoxyphenyl 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.