Chemical Properties of Xylitol (CAS 87-99-0)

InChI

InChI=1S/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2/t3-,4+,5+

InChI Key

HEBKCHPVOIAQTA-SCDXWVJYSA-N

Formula

C5H12O5

SMILES

OCC(O)C(O)C(O)CO

Molecular Weight¹

152.15

CAS

87-99-0

Other Names

• klinit
• kylit
• xylite
• xyliton

• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_liquid : Liquid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_subH° : Enthalpy of sublimation at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization 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).
• P_c : Critical Pressure (kPa).
• Δ_fusS : Entropy of fusion at a given temperature (J/mol×K).
• 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
ΔcH°liquid	-2564.00 ± 0.63	kJ/mol	NIST
ΔfH°gas	-893.55	kJ/mol	Relay (1.0) Calculated Property
ΔfH°liquid	-1118.60 ± 0.63	kJ/mol	NIST
ΔfusH°	33.68	kJ/mol	Thermodynamic investigation of several natural polyols (I): Heat capacities and thermodynamic properties of xylitol
ΔsubH°	161.00	kJ/mol	NIST
ΔvapH°	121.88	kJ/mol	Relay (1.0) Calculated Property
log10WS	0.49		Relay (1.0) Calculated Property
logPoct/wat	-2.946		Crippen Calculated Property
McVol	110.660	ml/mol	McGowan Calculated Property
Pc	6785.20	kPa	Joback Calculated Property
Tboil	632.71	K	Relay (1.0) Calculated Property
Tc	893.29	K	Relay (1.0) Calculated Property
Tfus	[365.70; 367.65]	K
Tfus	367.20	K	Solid-liquid phase equilibria in binary mixtures of functionalized ionic liquids with sugar alcohols: New experimental data and modelling
Tfus	366.20	K	Experimental and in silico characterization of xylitol as seasonal heat storage material
Tfus	367.20	K	Solubility data and modeling for sugar alcohols in ionic liquids
Tfus	366.10	K	Heat capacities of some sugar alcohols as phase change materials for thermal energy storage applications
Tfus	367.65	K	Solubility of Xylitol in Ethanol, Acetone, N,N-Dimethylformamide, 1-Butanol, 1-Pentanol, Toluene, 2-Propanol, and Water
Tfus	367.65	K	Measurement and Correlation of Solubility of Xylitol in Binary Ethanol + Acetone Solvent Mixtures with the Combined Nearly Ideal Binary Solvent/ Redlich-Kister Equation
Tfus	365.70 ± 0.20	K	NIST
Vc	0.401	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate 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

Property	Value	Unit	Temperature (K)	Source
ΔfusH	[33.26; 37.70]	kJ/mol	[365.70; 369.00]
ΔfusH	37.40	kJ/mol	365.70	NIST
ΔfusH	37.40	kJ/mol	365.70	NIST
ΔfusH	37.70	kJ/mol	368.00	NIST
ΔfusH	33.26	kJ/mol	369.00	NIST
ΔvapH	111.10 ± 0.80	kJ/mol	433.00	NIST
ΔfusS	102.30	J/mol×K	365.70	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[173.11; 372.25]	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			1.97520e+01
Coefficient B			6.66500e-01
Coefficient C			-4.09800e-04
Coefficient D			9.58000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	173.11	J/mol×K	273.00	Calculated Property
Cp,gas	208.50	J/mol×K	353.78	Calculated Property
Cp,gas	239.86	J/mol×K	434.56	Calculated Property
Cp,gas	267.50	J/mol×K	515.33	Calculated Property
Cp,gas	291.73	J/mol×K	596.11	Calculated Property
Cp,gas	312.85	J/mol×K	676.89	Calculated Property
Cp,gas	331.16	J/mol×K	757.67	Calculated Property
Cp,gas	346.96	J/mol×K	838.44	Calculated Property
Cp,gas	360.55	J/mol×K	919.22	Calculated Property
Cp,gas	372.25	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0888743; 0.0000008]	Pa×s	[366.81; 663.46]	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			-2.82992e+01
Coefficient B			9.49265e+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.			366.81
Temperature range, max.			663.46
η	0.0888743	Pa×s	366.81	Calculated Property
η	0.0105230	Pa×s	399.78	Calculated Property
η	0.0017245	Pa×s	432.74	Calculated Property
η	0.0003651	Pa×s	465.70	Calculated Property
η	0.0000949	Pa×s	498.66	Calculated Property
η	0.0000292	Pa×s	531.62	Calculated Property
η	0.0000103	Pa×s	564.58	Calculated Property
η	0.0000041	Pa×s	597.54	Calculated Property
η	0.0000018	Pa×s	630.50	Calculated Property
η	0.0000008	Pa×s	663.46	Calculated Property

Similar Compounds

Find more compounds similar to Xylitol.

Mixtures

• Dimethyl Sulfoxide + Xylitol
• Xylitol + Water
• Tetrahydrofuran + Xylitol + Water
• Vitamin C + Xylitol + Water
• Xylitol + Water + Cetrimonium Bromide
• Xylitol + Water + Glycine, N-(carboxymethyl)-
• Ethanol + Xylitol
• Acetone + Xylitol
• Ethanol + Acetone + Xylitol
• Glycine + Xylitol + Water
• D-Alanine + Xylitol + Water
• D-Valine + Xylitol + Water
• Threonine + Xylitol + Water
• (-)-D-arginine hydrate + Xylitol + Water
• Xylitol + Water + Ammonium bromide
• Tetraethylammonium bromide + Xylitol + Water
• Xylitol + Water + N,N'-DIACETYLHEXAMETHYLENEDIAMINE
• Formamide, N,N-dimethyl- + Xylitol
• 1-Butanol + Xylitol
• 1-Pentanol + Xylitol

Find more mixtures with Xylitol.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Solid-liquid phase equilibria in binary mixtures of functionalized ionic liquids with sugar alcohols: New experimental data and modelling
• Osmotic properties of carbohydrate aqueous solutions
• Partitioning of diuron in a novel aqueous two-phase system based on polyols and tetrahydrofuran
• Experimental and in silico characterization of xylitol as seasonal heat storage material
• Apparent molar volumes and apparent molar heat capacities of aqueous adonitol, dulcitol, glycerol, meso-erythritol, myo-inositol, D-sorbitol, and xylitol at temperatures from (278.15 to 368.15) K and at the pressure 0.35 MPa
• Enthalpy of dilution and volumetric properties of N-glycylglycine in aqueous xylitol solutions at T = 298.15 K
• Solubility of xylitol and sorbitol in ionic liquids - Experimental data and modeling
• Solubility data and modeling for sugar alcohols in ionic liquids
• Investigations to explore interactions in (polyhydroxy solute + L-ascorbic acid + H2O) solutions at different temperatures: Calorimetric and viscometric approach
• Volumetric, viscometric and 1H NMR spectroscopic studies in (polyhydroxy solute + CTAB + H2O) ternary solutions
• Heat capacities of some sugar alcohols as phase change materials for thermal energy storage applications
• Thermodynamic investigation of several natural polyols (I): Heat capacities and thermodynamic properties of xylitol
• Dielectric relaxation and thermodynamic study of polyhydric sugar alcohols in DMSO using TDR technique
• Densities and Viscosities of Sugar Alcohols in Vitamin B6 Aqueous Solutions at (293.15 to 323.15) K
• Densities and Viscosities of Polyhydroxy Solutes in Aqueous Tetraethylammonium Bromide Solutions at Different Temperatures
• Densities and viscosities of amino acid + xylitol + water solutions at 293.15 less than T/K greater than 323.15
• Molecular Interactions of Saccharides and Their Derivatives with Thiamine HCl and Pyridoxine HCl Vitamins in Aqueous Solutions: Calorimetric, Viscometric, and NMR Spectroscopic Studies
• Solubility Behavior and Data Modeling of l-Proline in Different Neat and Binary Solvent Systems
• Solubility of Xylitol in Ethanol, Acetone, N,N-Dimethylformamide, 1-Butanol, 1-Pentanol, Toluene, 2-Propanol, and Water
• Enthalpies of Dilution, Volumetric Properties, and Refractive Indices of N,N'-Hexamethylenebisacetamide in Aqueous Xylitol or d-Mannitol Solutions at T = 298.15 K
• Ionic Liquids as Promising Solvents for Biomass Derived Mannitol and Xylitol
• Densities and Viscosities of Erythritol, Xylitol, and Mannitol in l-ascorbic Acid Aqueous Solutions at T = (293.15 to 323.15) K
• Density of Mixtures Containing Sugars and Ionic Liquids: Experimental Data and PC-SAFT Modeling
• Influence of NH4Br on Solvation Behavior of Polyhydroxy Solutes in Aqueous Solutions at Different Temperatures and Atmospheric Pressure
• Measurement and Correlation of Solubility of Xylitol in Binary Ethanol + Acetone Solvent Mixtures with the Combined Nearly Ideal Binary Solvent/ Redlich-Kister Equation
• Properties of Sugar, Polyol, and Polysaccharide Water-Ethanol Solutions
• Transfer Enthalpies of Amino Acids and Glycine Peptides from Water to Aqueous Solutions of Sugar Alcohol at 298.15 K
• Densities and Viscosities of Sugar Alcohol Aqueous Solutions
• Joback Method
• McGowan Method
• NIST Webbook

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