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
• 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
• Saligenin-«beta»-D-glucopyranoside
• o-(Hydroxymethyl)phenyl «beta»-D-glucopyranoside
• o-(Hydroxymethyl)phenyl «beta»-D-glucopyranoside
• «alpha»-hydroxy-o-tolyl «beta»-D-glucopyranoside
• «beta»-D-Glucopyranoside, 2-(hydroxymethyl)phenyl
• «alpha»-hydroxy-o-tolyl «beta»-D-glucopyranoside
• «beta»-D-Glucopyranoside, 2-(hydroxymethyl)phenyl

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	1.0381		Relay (1.0) Calculated Property
ΔfG°	-720.25	kJ/mol	Joback Calculated Property
ΔfH°gas	-1021.11	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	48.80	kJ/mol	Joback Calculated Property
ΔvapH°	156.63	kJ/mol	Relay (1.0) Calculated Property
IE	8.89	eV	Relay (1.0) 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
Pc	3704.46	kPa	Joback Calculated Property
Inp	2572.00		NIST
Tboil	693.39	K	Relay (1.0) Calculated Property
Tc	1030.67	K	Relay (1.0) Calculated Property
Tfus	414.70	K	Relay (1.0) Calculated Property
Vc	0.742	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[719.99; 741.25]	J/mol×K	[1039.64; 1281.59]
Cp,gas	719.99	J/mol×K	1039.64	Joback Calculated Property
Cp,gas	727.14	J/mol×K	1079.96	Joback Calculated Property
Cp,gas	732.83	J/mol×K	1120.29	Joback Calculated Property
Cp,gas	737.07	J/mol×K	1160.61	Joback Calculated Property
Cp,gas	739.87	J/mol×K	1200.94	Joback Calculated Property
Cp,gas	741.25	J/mol×K	1241.26	Joback Calculated Property
Cp,gas	741.21	J/mol×K	1281.59	Joback Calculated Property
η	[1.4273610e-08; 0.0000077]	Pa×s	[618.53; 1039.64]
η	0.0000077	Pa×s	618.53	Joback Calculated Property
η	0.0000016	Pa×s	688.71	Joback Calculated Property
η	0.0000004	Pa×s	758.90	Joback Calculated Property
η	0.0000001	Pa×s	829.08	Joback Calculated Property
η	6.0300289e-08	Pa×s	899.27	Joback Calculated Property
η	2.7846737e-08	Pa×s	969.45	Joback Calculated Property
η	1.4273610e-08	Pa×s	1039.64	Joback Calculated Property

Similar Compounds

Find more compounds similar to Salicin.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Joback Method
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook

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