Chemical Properties of 2-Phenylethnol, .beta.-D-glucoside, TFA

2-Phenylethnol, .beta.-D-glucoside, TFA

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InChI
InChI=1S/C22H16F12O10/c23-19(24,25)15(35)40-8-10-11(42-16(36)20(26,27)28)12(43-17(37)21(29,30)31)13(44-18(38)22(32,33)34)14(41-10)39-7-6-9-4-2-1-3-5-9/h1-5,10-14H,6-8H2/t10-,11-,12+,13-,14-/m0/s1
InChI Key
NOABXVMGFIRNNW-HPCHECBXSA-N
Formula
C22H16F12O10
SMILES
O=C(OCC1OC(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
668.34
Other Names
  • 2-Phenyl ethanol «beta»-D-glucopyranoside, TFA
  • Phenethyl alcohol, Gly, TFA
  • Phenethyl alcohol, «beta»-D-glucopyranoside, TFA
  • «beta»-phenylethyl «beta»-D-glucopyranoside, TFA
Sources

Physical Properties

Property Value Unit Source
Δf -3212.78 kJ/mol Joback Calculated Property
Δfgas -3919.66 kJ/mol Joback Calculated Property
Δfus 70.51 kJ/mol Joback Calculated Property
Δvap 94.59 kJ/mol Joback Calculated Property
logPoct/wat 3.50 Crippen Calculated Property
Pc 957.32 kPa Joback Calculated Property
Tboil 1063.16 K Joback Calculated Property
Tc 1316.55 K Joback Calculated Property
Tfus 708.74 K Joback Calculated Property
Vc 1.40 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1220.33 J/mol×K 1063.16 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 5
-O- (ring) 1
-F 12
=CH- (ring) 5
=C< (ring) 1
-CH2- 3
>C< 4
>C=O (nonring) 4
>CH- (ring) 5

Similar Compounds

2-Phenylethanol, rutinoside, TFA. 2-Phenylethyl .beta.-D-glucopyranoside, TFA. «beta»-phenylethyl 6- O-(«beta»-D-apiofuranosyl)-«beta»-D-glucopyranoside, TFA. Benzenemethanol, Gly, TFA. Benzyl alcohol, rutinoside, TFA. 1,6-Anhydro-.beta.-D-glucose, tris(trifluoroacetate). D-Allopyranose, pentakis(trifluoroacetate) (isomer 2). D-(+)-Galactopyranose, pentakis(trifluoroacetate) (isomer 2). D-(+)-Glucose, pentakis(trifluoroacetate) (isomer 1). D-(+)-Talopyranose, pentakis(trifluoroacetate). D-(+)-Mannopyranose, pentakis(trifluoroacetate) (isomer 2). D-(+)-Glucose, pentakis(trifluoroacetate) (isomer 2). D-Allopyranose, pentakis(trifluoroacetate) (isomer 1). D-(+)-Mannopyranose, pentakis(trifluoroacetate) (isomer 1). D-(+)-Galactopyranose, pentakis(trifluoroacetate) (isomer 1).

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