Chemical Properties of Hexanol «beta»-D-glucopyranoside, TFA

Hexanol «beta»-D-glucopyranoside, TFA

InChI
InChI=1S/C20H20F12O10/c1-2-3-4-5-6-37-12-11(42-16(36)20(30,31)32)10(41-15(35)19(27,28)29)9(40-14(34)18(24,25)26)8(39-12)7-38-13(33)17(21,22)23/h8-12H,2-7H2,1H3/t8-,9-,10+,11-,12-/m1/s1
InChI Key
WIBWLTPJESIJNR-RMPHRYRLSA-N
Formula
C20H20F12O10
SMILES
CCCCCCOC1OC(COC(=O)C(F)(F)F)C(OC(=O)C(F)(F)F)C(OC(=O)C(F)(F)F)C1OC(=O)C(F)(F)F
Molecular Weight1
648.35
Other Names
  • Hexanol, Gly, TFA
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° 77.62 kJ/mol Joback Calculated Property
logPoct/wat 3.836 Crippen Calculated Property
McVol 344.540 ml/mol McGowan Calculated Property
Inp [1632.00; 1640.00]   Show Hide
Inp 1632.00 NIST
Inp 1632.00 NIST
Inp 1640.00 NIST
Inp 1632.00 NIST
Inp 1640.00 NIST
Tboil 584.73 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, 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 [1200.27; 1241.99] J/mol×K [918.64; 1134.71] Show Hide
Cp,gas 1200.27 J/mol×K 918.64 Joback Calculated Property
Cp,gas 1212.05 J/mol×K 954.65 Joback Calculated Property
Cp,gas 1221.82 J/mol×K 990.66 Joback Calculated Property
Cp,gas 1229.65 J/mol×K 1026.68 Joback Calculated Property
Cp,gas 1235.59 J/mol×K 1062.69 Joback Calculated Property
Cp,gas 1239.68 J/mol×K 1098.70 Joback Calculated Property
Cp,gas 1241.99 J/mol×K 1134.71 Joback Calculated Property

Similar Compounds

Hexanol .beta.-D-glucopyranoside, TFA. 1,6-Anhydro-.beta.-D-glucose, tris(trifluoroacetate). 1,6-Anhydro-2,3-O-isopropylidene-«beta»-D-mannopyranose, trifluoroacetate. D-(+)-Galactopyranose, pentakis(trifluoroacetate) (isomer 1). D-(+)-Mannopyranose, pentakis(trifluoroacetate) (isomer 2). D-(+)-Glucose, pentakis(trifluoroacetate) (isomer 2). D-(+)-Mannopyranose, pentakis(trifluoroacetate) (isomer 1). D-Allopyranose, pentakis(trifluoroacetate) (isomer 1). D-(+)-Galactopyranose, pentakis(trifluoroacetate) (isomer 2). D-(+)-Talopyranose, pentakis(trifluoroacetate). D-(+)-Glucose, pentakis(trifluoroacetate) (isomer 1). D-Allopyranose, pentakis(trifluoroacetate) (isomer 2). Citronellol, Gly, TFA. «beta»-D-Glucopyranose, 1,6-anhydro-, triacetate. Glucose, 2-ethyl, acetylated.

Find more compounds similar to Hexanol «beta»-D-glucopyranoside, TFA.

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.