Chemical Properties of Methyl glucuronide, acetate

InChI

InChI=1S/C13H18O10/c1-5(14)20-8-9(21-6(2)15)11(22-7(3)16)13(19-4)23-10(8)12(17)18/h8-11,13H,1-4H3,(H,17,18)

InChI Key

YAYYBTSPWBBXRC-UHFFFAOYSA-N

Formula

C13H18O10

SMILES

COC1OC(C(=O)O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

Molecular Weight¹

334.28

• 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°	57.96	kJ/mol	Joback Calculated Property
logPoct/wat	-0.763		Crippen Calculated Property
McVol	224.670	ml/mol	McGowan Calculated Property
Inp	[1726.00; 1726.00]
Inp	1726.00		NIST
Inp	1726.00		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	[347.60; 774.85]	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			7.28700e+01
Coefficient B			1.07518e+00
Coefficient C			-2.06700e-04
Coefficient D			-1.66500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	347.60	J/mol×K	273.00	Calculated Property
Cp,gas	420.00	J/mol×K	353.78	Calculated Property
Cp,gas	487.40	J/mol×K	434.56	Calculated Property
Cp,gas	549.27	J/mol×K	515.33	Calculated Property
Cp,gas	605.08	J/mol×K	596.11	Calculated Property
Cp,gas	654.30	J/mol×K	676.89	Calculated Property
Cp,gas	696.42	J/mol×K	757.67	Calculated Property
Cp,gas	730.90	J/mol×K	838.44	Calculated Property
Cp,gas	757.22	J/mol×K	919.22	Calculated Property
Cp,gas	774.85	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0005116; 0.0001343]	Pa×s	[563.08; 755.66]	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			-1.28260e+01
Coefficient B			2.95509e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			563.08
Temperature range, max.			755.66
η	0.0005116	Pa×s	563.08	Calculated Property
η	0.0004222	Pa×s	584.48	Calculated Property
η	0.0003531	Pa×s	605.88	Calculated Property
η	0.0002990	Pa×s	627.27	Calculated Property
η	0.0002560	Pa×s	648.67	Calculated Property
η	0.0002213	Pa×s	670.07	Calculated Property
η	0.0001931	Pa×s	691.47	Calculated Property
η	0.0001698	Pa×s	712.86	Calculated Property
η	0.0001505	Pa×s	734.26	Calculated Property
η	0.0001343	Pa×s	755.66	Calculated Property

Similar Compounds

Find more compounds similar to Methyl glucuronide, acetate.

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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