Chemical Properties of Methyl(methyl 2,3,4-tri-O-acetyl-beta-d-glucopyranosid)uronate (CAS 34213-34-8)

InChI

InChI=1S/C14H20O10/c1-6(15)21-9-10(22-7(2)16)12(23-8(3)17)14(20-5)24-11(9)13(18)19-4/h9-12,14H,1-5H3/t9-,10-,11-,12+,14+/m1/s1

InChI Key

WQZLHCDEZYULJJ-SSKLVLDBSA-N

Formula

C14H20O10

SMILES

COC(=O)C1OC(OC)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

Molecular Weight¹

348.30

CAS

34213-34-8

Other Names

• Methyl glucuronide, methyl ester, triacetate

• 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.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	54.78	kJ/mol	Joback Calculated Property
logPoct/wat	-0.674		Crippen Calculated Property
McVol	238.760	ml/mol	McGowan Calculated Property
Inp	[1842.00; 1842.00]
Inp	1842.00		NIST
Inp	1842.00		NIST

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, 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	[371.53; 823.77]	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			9.27700e+01
Coefficient B			1.06460e+00
Coefficient C			-9.39000e-05
Coefficient D			-2.39700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	371.53	J/mol×K	273.00	Calculated Property
Cp,gas	447.04	J/mol×K	353.78	Calculated Property
Cp,gas	518.00	J/mol×K	434.56	Calculated Property
Cp,gas	583.65	J/mol×K	515.33	Calculated Property
Cp,gas	643.25	J/mol×K	596.11	Calculated Property
Cp,gas	696.02	J/mol×K	676.89	Calculated Property
Cp,gas	741.22	J/mol×K	757.67	Calculated Property
Cp,gas	778.08	J/mol×K	838.44	Calculated Property
Cp,gas	805.85	J/mol×K	919.22	Calculated Property
Cp,gas	823.77	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0008782; 0.0001122]	Pa×s	[456.08; 703.20]	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			-1.28919e+01
Coefficient B			2.67003e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			456.08
Temperature range, max.			703.20
η	0.0008782	Pa×s	456.08	Calculated Property
η	0.0006298	Pa×s	483.54	Calculated Property
η	0.0004681	Pa×s	511.00	Calculated Property
η	0.0003586	Pa×s	538.45	Calculated Property
η	0.0002819	Pa×s	565.91	Calculated Property
η	0.0002266	Pa×s	593.37	Calculated Property
η	0.0001857	Pa×s	620.83	Calculated Property
η	0.0001548	Pa×s	648.29	Calculated Property
η	0.0001310	Pa×s	675.74	Calculated Property
η	0.0001122	Pa×s	703.20	Calculated Property

Similar Compounds

Find more compounds similar to Methyl(methyl 2,3,4-tri-O-acetyl-beta-d-glucopyranosid)uronate.

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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