Chemical Properties of 2-Phenylethyl .beta.-D-glucopyranoside, TFA

2-Phenylethyl .beta.-D-glucopyranoside, TFA

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InChI
InChI=1S/C23H18F12O9/c24-20(25,26)12(36)7-6-11-13(42-17(37)21(27,28)29)14(43-18(38)22(30,31)32)15(44-19(39)23(33,34)35)16(41-11)40-9-8-10-4-2-1-3-5-10/h1-5,11,13-16H,6-9H2/t11-,13-,14+,15-,16-/m0/s1
InChI Key
HQUAEVKXTOFIFZ-SLZITWOASA-N
Formula
C23H18F12O9
SMILES
O=C(CCC1OC(OCCc2ccccc2)C(OC(=O)C(F)(F)F)C(OC(=O)C(F)(F)F)C1OC(=O)C(F)(F)F)C(F)(F)F
Molecular Weight1
666.36
Sources

Physical Properties

Property Value Unit Source
Δf -3099.36 kJ/mol Joback Calculated Property
Δfgas -3808.08 kJ/mol Joback Calculated Property
Δfus 71.92 kJ/mol Joback Calculated Property
Δvap 94.41 kJ/mol Joback Calculated Property
logPoct/wat 4.30 Crippen Calculated Property
Pc 912.18 kPa Joback Calculated Property
Tboil 1063.62 K Joback Calculated Property
Tc 1317.79 K Joback Calculated Property
Tfus 697.78 K Joback Calculated Property
Vc 1.43 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1255.41 J/mol×K 1063.62 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 4
-O- (ring) 1
-F 12
=CH- (ring) 5
=C< (ring) 1
-CH2- 4
>C< 4
>C=O (nonring) 4
>CH- (ring) 5

Similar Compounds

2-Phenylethanol, rutinoside, TFA. 2-Phenylethnol, .beta.-D-glucoside, TFA. Benzyl .beta.-D-glucopyranoside, TFA. «beta»-phenylethyl 6- O-(«beta»-D-apiofuranosyl)-«beta»-D-glucopyranoside, TFA. Benzyl alcohol, rutinoside, TFA. Benzenemethanol, Gly, TFA. benzyl 6- O-(«alpha»-L-arabinofuranosyl)-«beta»-D-glucopyranoside, TFA. 1,6-Anhydro-.beta.-D-glucose, tris(trifluoroacetate). L-(-)-Fucopyranose, tetrakis(trifluoroacetate) (isomer 1). L-(+)-Rhamnopyranose, tetrakis(trifluoroacetate) (isomer 1). L-(+)-Rhamnopyranose, tetrakis(trifluoroacetate) (isomer 2). L-(-)-Fucopyranose, tetrakis(trifluoroacetate) (isomer 2). D-(+)-Galactopyranose, pentakis(trifluoroacetate) (isomer 2). D-(+)-Talopyranose, pentakis(trifluoroacetate). D-Allopyranose, pentakis(trifluoroacetate) (isomer 2).

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