Chemical Properties of 3-Methyl-1,2,4,6-tetraacetylglucoside (B)

InChI

InChI=1S/C15H22O10/c1-7(16)21-6-11-12(22-8(2)17)13(20-5)14(23-9(3)18)15(25-11)24-10(4)19/h11-15H,6H2,1-5H3/t11?,12-,13?,14?,15-/m1/s1

InChI Key

DCJXMAVPDMWIOR-HONHCDKBSA-N

Formula

C15H22O10

SMILES

COC1C(OC(C)=O)[C@H](OC(C)=O)OC(COC(C)=O)[C@H]1OC(C)=O

Molecular Weight¹

362.33

• 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

Property	Value	Unit	Source
ΔfusH°	57.37	kJ/mol	Joback Calculated Property
logPoct/wat	-0.284		Crippen Calculated Property
McVol	252.850	ml/mol	McGowan Calculated Property
Inp	[1866.00; 1874.00]
Inp	1868.00		NIST
Inp	1866.00		NIST
Inp	1874.00		NIST
Tfus	336.12	K	Relay (1.0) Calculated Property

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	[392.74; 875.36]	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			9.18610e+01
Coefficient B			1.15960e+00
Coefficient C			-1.48300e-04
Coefficient D			-2.27800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	392.74	J/mol×K	273.00	Calculated Property
Cp,gas	473.45	J/mol×K	353.78	Calculated Property
Cp,gas	549.07	J/mol×K	434.56	Calculated Property
Cp,gas	618.88	J/mol×K	515.33	Calculated Property
Cp,gas	682.16	J/mol×K	596.11	Calculated Property
Cp,gas	738.18	J/mol×K	676.89	Calculated Property
Cp,gas	786.24	J/mol×K	757.67	Calculated Property
Cp,gas	825.60	J/mol×K	838.44	Calculated Property
Cp,gas	855.55	J/mol×K	919.22	Calculated Property
Cp,gas	875.36	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0007953; 0.0001003]	Pa×s	[467.35; 719.07]	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			-1.30514e+01
Coefficient B			2.76419e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			467.35
Temperature range, max.			719.07
η	0.0007953	Pa×s	467.35	Calculated Property
η	0.0005695	Pa×s	495.32	Calculated Property
η	0.0004226	Pa×s	523.29	Calculated Property
η	0.0003232	Pa×s	551.26	Calculated Property
η	0.0002537	Pa×s	579.23	Calculated Property
η	0.0002037	Pa×s	607.20	Calculated Property
η	0.0001667	Pa×s	635.16	Calculated Property
η	0.0001387	Pa×s	663.13	Calculated Property
η	0.0001172	Pa×s	691.10	Calculated Property
η	0.0001003	Pa×s	719.07	Calculated Property

Similar Compounds

Find more compounds similar to 3-Methyl-1,2,4,6-tetraacetylglucoside (B).

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.
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