Chemical Properties of 1,4:3,6-dianhydro-5-deoxy-2-O-(trifluoroacetyl)-D-xylo-hex-5-enitol

1,4:3,6-dianhydro-5-deoxy-2-O-(trifluoroacetyl)-D-xylo-hex-5-enitol

InChI
InChI=1S/C8H7F3O4/c9-8(10,11)7(12)15-5-3-14-4-1-2-13-6(4)5/h1-2,4-6H,3H2
InChI Key
FLRHIPSTQQZNJR-UHFFFAOYSA-N
Formula
C8H7F3O4
SMILES
O=C(OC1COC2C=COC21)C(F)(F)F
Molecular Weight1
224.13
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° 32.99 kJ/mol Joback Calculated Property
logPoct/wat 0.772 Crippen Calculated Property
McVol 122.050 ml/mol McGowan Calculated Property
Inp [1236.00; 1236.00]   Show Hide
Inp 1236.00 NIST
Inp 1236.00 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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [188.51; 440.28] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A-4.75400e+01
Coefficient B1.06430e+00
Coefficient C-7.89480e-04
Coefficient D2.13000e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 188.51 J/mol×K 273.00 Calculated Property
Cp,gas 239.61 J/mol×K 353.78 Calculated Property
Cp,gas 283.35 J/mol×K 434.56 Calculated Property
Cp,gas 320.42 J/mol×K 515.33 Calculated Property
Cp,gas 351.48 J/mol×K 596.11 Calculated Property
Cp,gas 377.21 J/mol×K 676.89 Calculated Property
Cp,gas 398.28 J/mol×K 757.67 Calculated Property
Cp,gas 415.37 J/mol×K 838.44 Calculated Property
Cp,gas 429.14 J/mol×K 919.22 Calculated Property
Cp,gas 440.28 J/mol×K 1000.00 Calculated Property

Similar Compounds

1,4:3,6-dianhydro-5-deoxy-2-O-(2,2,3,3,3-pentafluoropropanoyl)-D-xylo-hex-5-enitol. 1,4:3,6-dianhydro-5-deoxy-2-O-(2,2,3,3,4,4,4-heptafluorobutanoyl)-D-xylo-hex-5-enitol. Vomifolyl «beta»-D-glucopyranoside, TFA. (6S,9R)-Vomifolyl 9-O-«beta»-D-glucopyranoside, TFA. Vomifoliol, rutinoside, TFA. Vomifoliol, .beta.-D-glucopyranoside, TFA. furanlinalyloxide 6- O-(«beta»-D-apiofuranosyl)-«beta»-D-glucopyranoside, TFA. ACETYL-T-2-TOXIN. ( S)-linalyl 6- O-(«alpha»-L-rhamonopyranosyl)-«beta»-D-glucopyranoside, TFA. (S)-Linalol rutinoside, TFA. Neosolaniol. 4-Oxo-«beta»-ionol, Gly, TFA. Linalool oxide (pyranoid), cis, «beta»-D-glucopyranoside, TFA. Linalool oxide (pyranoid), trans, «beta»-D-glucopyranoside, TFA. Vomifoliol 2A, Gly, TFA.

Find more compounds similar to 1,4:3,6-dianhydro-5-deoxy-2-O-(trifluoroacetyl)-D-xylo-hex-5-enitol.

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.