Chemical Properties of Tetronic acid, trifluoroacetate

Tetronic acid, trifluoroacetate

InChI
InChI=1S/C6H3F3O4/c7-6(8,9)5(11)13-3-1-4(10)12-2-3/h1H,2H2
InChI Key
GWLYACFXDZCQTH-UHFFFAOYSA-N
Formula
C6H3F3O4
SMILES
O=C1C=C(OC(=O)C(F)(F)F)CO1
Molecular Weight1
196.08
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Physical Properties

Property Value Unit Source
ΔfusH° 17.10 kJ/mol Joback Calculated Property
logPoct/wat 0.533 Crippen Calculated Property
McVol 100.430 ml/mol McGowan Calculated Property
Inp [996.00; 996.00]   Show Hide
Inp 996.00 NIST
Inp 996.00 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 [239.98; 287.13] J/mol×K [526.41; 734.88] Show Hide
Cp,gas 239.98 J/mol×K 526.41 Joback Calculated Property
Cp,gas 249.17 J/mol×K 561.16 Joback Calculated Property
Cp,gas 257.82 J/mol×K 595.90 Joback Calculated Property
Cp,gas 265.94 J/mol×K 630.65 Joback Calculated Property
Cp,gas 273.53 J/mol×K 665.39 Joback Calculated Property
Cp,gas 280.59 J/mol×K 700.14 Joback Calculated Property
Cp,gas 287.13 J/mol×K 734.88 Joback Calculated Property

Similar Compounds

Tetronic acid, heptafluorobutyrate. 2-methoxy-2-buten-4-olide. 2-Butenoic acid, 3-ethoxy-, ethyl ester. Ethyl 3-ethoxy-cis-crotonate. 4-Hydroxy-6-oxohept-4-enoic acid, trifluoroacetate. 2,5-Dimethyl-4-hydroxy-2(5H)-furanone. 2H-Pyran-2-one, 5,6-dihydro-4-methoxy-6-(2-phenylethenyl)-, [R-(E)]-. (S)-4-Methoxy-6-phenethyl-5,6-dihydro-2H-pyran-2-one. D-(-)-Isoascorbic acid, tetraacetate. Ascorbic acid, tetraacetate. 5-Hydroxy-4-methoxy-6-phenethyl-5,6-dihydro-2H-pyran-2-one. cis-Phenanthrene, 9,10-dihydro-9-methyl-9,10-diol. Testosterone, 3-HFB, 17«beta»-PFB. 1,4:3,6-dianhydro-5-deoxy-2-O-(2,2,3,3,3-pentafluoropropanoyl)-D-xylo-hex-5-enitol. Testosterone, 3,17«beta»-bispentafluoropropionate.

Find more compounds similar to Tetronic acid, trifluoroacetate.

Sources

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