Chemical Properties of 1,5-Anhydro-d-glucitol, tetra-O-acetyl- (CAS 13137-69-4)

InChI

InChI=1S/C14H20O9/c1-7(15)19-5-11-13(22-9(3)17)14(23-10(4)18)12(6-20-11)21-8(2)16/h11-14H,5-6H2,1-4H3/t11-,12+,13-,14+/m1/s1

InChI Key

ULWHEXUWXLOVPV-RQJABVFESA-N

Formula

C14H20O9

SMILES

CC(=O)OCC1OCC(OC(C)=O)C(OC(C)=O)C1OC(C)=O

Molecular Weight¹

332.30

CAS

13137-69-4

Other Names

• 2,6-Anhydro-L-gulitol peracetate
• 2,3,4,6-Tetra-O-acetyl-1,5-anhydro-D-glucitol
• D-Glucitol, 1,5-anhydro-, tetraacetate

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, 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, 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	[353.86; 798.61]	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			6.13310e+01
Coefficient B			1.15428e+00
Coefficient C			-2.60300e-04
Coefficient D			-1.56700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	353.86	J/mol×K	273.00	Calculated Property
Cp,gas	430.17	J/mol×K	353.78	Calculated Property
Cp,gas	500.92	J/mol×K	434.56	Calculated Property
Cp,gas	565.60	J/mol×K	515.33	Calculated Property
Cp,gas	623.72	J/mol×K	596.11	Calculated Property
Cp,gas	674.79	J/mol×K	676.89	Calculated Property
Cp,gas	718.31	J/mol×K	757.67	Calculated Property
Cp,gas	753.78	J/mol×K	838.44	Calculated Property
Cp,gas	780.71	J/mol×K	919.22	Calculated Property
Cp,gas	798.61	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0012302; 0.0001190]	Pa×s	[438.09; 691.07]	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			-1.30819e+01
Coefficient B			2.79563e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			438.09
Temperature range, max.			691.07
η	0.0012302	Pa×s	438.09	Calculated Property
η	0.0008373	Pa×s	466.20	Calculated Property
η	0.0005954	Pa×s	494.31	Calculated Property
η	0.0004392	Pa×s	522.42	Calculated Property
η	0.0003342	Pa×s	550.53	Calculated Property
η	0.0002611	Pa×s	578.64	Calculated Property
η	0.0002088	Pa×s	606.75	Calculated Property
η	0.0001702	Pa×s	634.86	Calculated Property
η	0.0001412	Pa×s	662.97	Calculated Property
η	0.0001190	Pa×s	691.07	Calculated Property

Similar Compounds

Find more compounds similar to 1,5-Anhydro-d-glucitol, tetra-O-acetyl-.

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

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.
These property values are available through the Cheméo API. A free account gives you an access key.