Chemical Properties of Xylitol, 1,5-anhydro-, triacetate (CAS 19200-32-9)

InChI

InChI=1S/C11H16O7/c1-6(12)16-9-4-15-5-10(17-7(2)13)11(9)18-8(3)14/h9-11H,4-5H2,1-3H3/t9-,10+,11+

InChI Key

NEMMESQJOZVCAX-URLYPYJESA-N

Formula

C11H16O7

SMILES

CC(=O)OC1COCC(OC(C)=O)C1OC(C)=O

Molecular Weight¹

260.24

CAS

19200-32-9

Other Names

• 2,3,4-Tri-O-acetyl-1,5-anhydroxylitol

• 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).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, 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, Log10 of Water solubility in mol/l 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[271.62; 629.07]	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			3.27100e+01
Coefficient B			9.50560e-01
Coefficient C			-2.47100e-04
Coefficient D			-1.07100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	271.62	J/mol×K	273.00	Calculated Property
Cp,gas	333.33	J/mol×K	353.78	Calculated Property
Cp,gas	390.33	J/mol×K	434.56	Calculated Property
Cp,gas	442.29	J/mol×K	515.33	Calculated Property
Cp,gas	488.86	J/mol×K	596.11	Calculated Property
Cp,gas	529.70	J/mol×K	676.89	Calculated Property
Cp,gas	564.49	J/mol×K	757.67	Calculated Property
Cp,gas	592.87	J/mol×K	838.44	Calculated Property
Cp,gas	614.51	J/mol×K	919.22	Calculated Property
Cp,gas	629.07	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0024387; 0.0001863]	Pa×s	[366.19; 607.44]	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			-1.24914e+01
Coefficient B			2.37112e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			366.19
Temperature range, max.			607.44
η	0.0024387	Pa×s	366.19	Calculated Property
η	0.0015680	Pa×s	393.00	Calculated Property
η	0.0010667	Pa×s	419.80	Calculated Property
η	0.0007600	Pa×s	446.61	Calculated Property
η	0.0005627	Pa×s	473.41	Calculated Property
η	0.0004302	Pa×s	500.22	Calculated Property
η	0.0003380	Pa×s	527.03	Calculated Property
η	0.0002719	Pa×s	553.83	Calculated Property
η	0.0002231	Pa×s	580.64	Calculated Property
η	0.0001863	Pa×s	607.44	Calculated Property

Similar Compounds

Find more compounds similar to Xylitol, 1,5-anhydro-, triacetate.

Sources

• 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
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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