Chemical Properties of Salicin (CAS 138-52-3)

Salicin

Download as PDF file Download as Excel file Download as 2D mole file Predict properties

InChI
InChI=1S/C13H18O7/c14-5-7-3-1-2-4-8(7)19-13-12(18)11(17)10(16)9(6-15)20-13/h1-4,9-18H,5-6H2
InChI Key
NGFMICBWJRZIBI-UHFFFAOYSA-N
Formula
C13H18O7
SMILES
OCc1ccccc1OC1OC(CO)C(O)C(O)C1O
Molecular Weight1
286.28
CAS
138-52-3
Other Names
  • 2-(Hydroxymethyl)phenyl-«beta»-(d)-glucopyranoside, (d)-salicin
  • 2-(Hydroxymethyl)phenyl-«beta»-d-glucopyranoside
  • Benzyl alcohol, o-hydroxy-, o-glucoside
  • D-Salicin
  • NSC 5751
  • Salicine
  • Salicoside
  • Salicyl alcohol glucoside
  • Saligenin-«beta»-D-glucopyranoside
  • o-(Hydroxymethyl)phenyl «beta»-D-glucopyranoside
  • «alpha»-hydroxy-o-tolyl «beta»-D-glucopyranoside
  • «beta»-D-Glucopyranoside, 2-(hydroxymethyl)phenyl
Sources

Physical Properties

Property Value Unit Source
Δf -720.25 kJ/mol Joback Calculated Property
Δfgas -1139.00 kJ/mol Joback Calculated Property
Δfus 48.80 kJ/mol Joback Calculated Property
Δvap 136.98 kJ/mol Joback Calculated Property
logPoct/wat -1.64 Crippen Calculated Property
Pc 3704.46 kPa Joback Calculated Property
Tboil 1039.64 K Joback Calculated Property
Tc 1281.59 K Joback Calculated Property
Tfus 618.53 K Joback Calculated Property
Vc 0.72 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 719.99 J/mol×K 1039.64 Joback Calculated Property
η 0.00 Pa×s 1039.64 Joback Calculated Property
ΔfusH 55.50 kJ/mol 474.7 NIST

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
-O- (ring) 1
=CH- (ring) 4
-OH (alcohol) 5
=C< (ring) 2
-CH2- 2
>CH- (ring) 5

Similar Compounds

Methyl salicylate, Gly, TFA. Pentosyl «beta»-D-glucopyranoside of methyl salicylate, isomer # 1, TFA. Pentosyl «beta»-D-glucopyranoside of methyl salicylate, isomer # 2, TFA. Methyl salicylate, Rut, TFA. .beta.-D-Glucopyranoside, 4-(acetyloxy)phenyl, tetraacetate. o-Nitrophenyl-«beta»-D-galactopyranoside. Galactopyranoside, p-nitrophenyl, tetraacetate, beta-d-. 7-Hydroxy-2-oxo-2h-chromen-6-yl hexopyranoside. 5-Hydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2h-chromen-7-yl 6-o-(6-deoxyhexopyranosyl)hexopyranoside. Vanillin, .beta.-D-glucopyranoside, TFA. p-Tolyl-«beta»-D-glucuronide, tris(trimethylsilyl) ether, trimethylsilyl ester. Eugenol, .beta.-D-glucopyranoside, TFA. 4-Nitrophenyl-«beta»-D-galacturonide, tris(trimethylsilyl) ether, trimethylsilyl ester. Scopoletin .beta.-D-glucopyranoside, TFA. Rutin.

Find more compounds similar to Salicin.

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.