Chemical Properties of .beta.-D-Glucopyranoside, 4-(acetyloxy)phenyl, tetraacetate

InChI

InChI=1S/C22H26O12/c1-11(23)28-10-18-19(30-13(3)25)20(31-14(4)26)21(32-15(5)27)22(34-18)33-17-8-6-16(7-9-17)29-12(2)24/h6-9,18-22H,10H2,1-5H3/t18-,19-,20+,21-,22-/m1/s1

InChI Key

XGHWMISYPPWNDJ-CUUWFGFTSA-N

Formula

C22H26O12

SMILES

CC(=O)OC[C@H]1O[C@@H](Oc2ccc(OC(C)=O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

Molecular Weight¹

482.44

Other Names

• Arbutin, pentaacetate

• 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).
• 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	[502.87; 1123.04]	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			9.13010e+01
Coefficient B			1.63140e+00
Coefficient C			-3.98660e-04
Coefficient D			-2.01000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	502.87	J/mol×K	273.00	Calculated Property
Cp,gas	609.66	J/mol×K	353.78	Calculated Property
Cp,gas	708.46	J/mol×K	434.56	Calculated Property
Cp,gas	798.64	J/mol×K	515.33	Calculated Property
Cp,gas	879.56	J/mol×K	596.11	Calculated Property
Cp,gas	950.58	J/mol×K	676.89	Calculated Property
Cp,gas	1011.08	J/mol×K	757.67	Calculated Property
Cp,gas	1060.41	J/mol×K	838.44	Calculated Property
Cp,gas	1097.94	J/mol×K	919.22	Calculated Property
Cp,gas	1123.04	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0001722; 0.0000249]	Pa×s	[627.51; 922.11]	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			-1.47151e+01
Coefficient B			3.79519e+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.			627.51
Temperature range, max.			922.11
η	0.0001722	Pa×s	627.51	Calculated Property
η	0.0001276	Pa×s	660.24	Calculated Property
η	0.0000972	Pa×s	692.98	Calculated Property
η	0.0000759	Pa×s	725.71	Calculated Property
η	0.0000606	Pa×s	758.44	Calculated Property
η	0.0000493	Pa×s	791.18	Calculated Property
η	0.0000407	Pa×s	823.91	Calculated Property
η	0.0000341	Pa×s	856.64	Calculated Property
η	0.0000290	Pa×s	889.38	Calculated Property
η	0.0000249	Pa×s	922.11	Calculated Property

Similar Compounds

Find more compounds similar to .beta.-D-Glucopyranoside, 4-(acetyloxy)phenyl, tetraacetate.

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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.