Chemical Properties of Isopropyl glucuronide, methyl ester, triacetate

InChI

InChI=1S/C16H24O10/c1-7(2)22-16-14(25-10(5)19)12(24-9(4)18)11(23-8(3)17)13(26-16)15(20)21-6/h7,11-14,16H,1-6H3

InChI Key

WMLVFLHCFASTLY-UHFFFAOYSA-N

Formula

C16H24O10

SMILES

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

Molecular Weight¹

376.36

• 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

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	[413.64; 927.49]	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			8.92700e+01
Coefficient B			1.26052e+00
Coefficient C			-2.05900e-04
Coefficient D			-2.16400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	413.64	J/mol×K	273.00	Calculated Property
Cp,gas	499.86	J/mol×K	353.78	Calculated Property
Cp,gas	580.40	J/mol×K	434.56	Calculated Property
Cp,gas	654.56	J/mol×K	515.33	Calculated Property
Cp,gas	721.67	J/mol×K	596.11	Calculated Property
Cp,gas	781.05	J/mol×K	676.89	Calculated Property
Cp,gas	832.00	J/mol×K	757.67	Calculated Property
Cp,gas	873.85	J/mol×K	838.44	Calculated Property
Cp,gas	905.91	J/mol×K	919.22	Calculated Property
Cp,gas	927.49	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0008254; 0.0000816]	Pa×s	[463.62; 736.33]	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			-1.33465e+01
Coefficient B			2.89617e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			463.62
Temperature range, max.			736.33
η	0.0008254	Pa×s	463.62	Calculated Property
η	0.0005627	Pa×s	493.92	Calculated Property
η	0.0004009	Pa×s	524.22	Calculated Property
η	0.0002964	Pa×s	554.52	Calculated Property
η	0.0002262	Pa×s	584.82	Calculated Property
η	0.0001772	Pa×s	615.12	Calculated Property
η	0.0001421	Pa×s	645.43	Calculated Property
η	0.0001162	Pa×s	675.73	Calculated Property
η	0.0000967	Pa×s	706.03	Calculated Property
η	0.0000816	Pa×s	736.33	Calculated Property

Similar Compounds

Find more compounds similar to Isopropyl glucuronide, methyl ester, triacetate.

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

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