Chemical Properties of D-Glucose, 2,3,4,5,6-pentaacetate (CAS 3891-59-6)

InChI

InChI=1S/C16H22O11/c1-8(18)23-7-14(25-10(3)20)16(27-12(5)22)15(26-11(4)21)13(6-17)24-9(2)19/h6,13-16H,7H2,1-5H3

InChI Key

UAOKXEHOENRFMP-UHFFFAOYSA-N

Formula

C16H22O11

SMILES

CC(=O)OCC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C(C=O)OC(C)=O

Molecular Weight¹

390.34

CAS

3891-59-6

Other Names

• D-Glucose pentaacetate
• Glucose pentaacetate
• Pentaacetylglucose
• «alpha»-d-Glucose 2,3,4,5,6-pentaacetate
• d-Allose, pentaacetate (ester)
• Glucose acetate

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (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

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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[430.24; 878.26]	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			1.20061e+02
Coefficient B			1.24800e+00
Coefficient C			-3.79400e-04
Coefficient D			-1.10400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	430.24	J/mol×K	273.00	Calculated Property
Cp,gas	509.20	J/mol×K	353.78	Calculated Property
Cp,gas	581.68	J/mol×K	434.56	Calculated Property
Cp,gas	647.33	J/mol×K	515.33	Calculated Property
Cp,gas	705.80	J/mol×K	596.11	Calculated Property
Cp,gas	756.75	J/mol×K	676.89	Calculated Property
Cp,gas	799.81	J/mol×K	757.67	Calculated Property
Cp,gas	834.65	J/mol×K	838.44	Calculated Property
Cp,gas	860.92	J/mol×K	919.22	Calculated Property
Cp,gas	878.26	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0009471; 0.0000266]	Pa×s	[463.73; 776.74]	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			-1.58240e+01
Coefficient B			4.10951e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			463.73
Temperature range, max.			776.74
η	0.0009471	Pa×s	463.73	Calculated Property
η	0.0005104	Pa×s	498.51	Calculated Property
η	0.0002981	Pa×s	533.29	Calculated Property
η	0.0001860	Pa×s	568.07	Calculated Property
η	0.0001225	Pa×s	602.85	Calculated Property
η	0.0000845	Pa×s	637.63	Calculated Property
η	0.0000605	Pa×s	672.41	Calculated Property
η	0.0000448	Pa×s	707.18	Calculated Property
η	0.0000341	Pa×s	741.96	Calculated Property
η	0.0000266	Pa×s	776.74	Calculated Property

Similar Compounds

Find more compounds similar to D-Glucose, 2,3,4,5,6-pentaacetate.

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.