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

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

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	48.80	kJ/mol	Joback Calculated Property
log10WS	[-0.85; -0.85]
log10WS	-0.85		Aq. Solubility Prediction
log10WS	-0.85		Estimated Solubility
logPoct/wat	-1.642		Crippen Calculated Property
McVol	200.500	ml/mol	McGowan Calculated Property
Inp	[2572.00; 2579.00]
Inp	2572.00		NIST
Inp	2579.00		NIST
Inp	2572.00		NIST
Tboil	693.39	K	Relay (1.0) Calculated Property
Tfus	472.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value

Cheméo can also estimate 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 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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[292.77; 711.53]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-1.10800e+00
Coefficient B			1.22030e+00
Coefficient C			-5.34060e-04
Coefficient D			2.64000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	292.77	J/mol×K	273.00	Calculated Property
Cp,gas	364.93	J/mol×K	353.78	Calculated Property
Cp,gas	430.50	J/mol×K	434.56	Calculated Property
Cp,gas	489.54	J/mol×K	515.33	Calculated Property
Cp,gas	542.14	J/mol×K	596.11	Calculated Property
Cp,gas	588.39	J/mol×K	676.89	Calculated Property
Cp,gas	628.37	J/mol×K	757.67	Calculated Property
Cp,gas	662.17	J/mol×K	838.44	Calculated Property
Cp,gas	689.86	J/mol×K	919.22	Calculated Property
Cp,gas	711.53	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0009400; 6.1740548e-08]	Pa×s	[472.15; 897.29]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-2.72960e+01
Coefficient B			9.59710e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			472.15
Temperature range, max.			897.29
η	0.0009400	Pa×s	472.15	Calculated Property
η	0.0001480	Pa×s	519.39	Calculated Property
η	0.0000317	Pa×s	566.62	Calculated Property
η	0.0000086	Pa×s	613.86	Calculated Property
η	0.0000028	Pa×s	661.10	Calculated Property
η	0.0000011	Pa×s	708.34	Calculated Property
η	0.0000005	Pa×s	755.57	Calculated Property
η	0.0000002	Pa×s	802.81	Calculated Property
η	0.0000001	Pa×s	850.05	Calculated Property
η	6.1740548e-08	Pa×s	897.29	Calculated Property

Similar Compounds

Find more compounds similar to Salicin.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Joback Method
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook

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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
These property values are available through the Cheméo API. A free account gives you an access key.