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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[878.33; 935.51]	J/mol×K	[848.36; 1051.90]
Cp,gas	878.33	J/mol×K	848.36	Joback Calculated Property
Cp,gas	892.51	J/mol×K	882.28	Joback Calculated Property
Cp,gas	904.89	J/mol×K	916.21	Joback Calculated Property
Cp,gas	915.44	J/mol×K	950.13	Joback Calculated Property
Cp,gas	924.09	J/mol×K	984.05	Joback Calculated Property
Cp,gas	930.80	J/mol×K	1017.98	Joback Calculated Property
Cp,gas	935.51	J/mol×K	1051.90	Joback Calculated Property
η	[0.0000486; 0.0008254]	Pa×s	[463.62; 848.36]
η	0.0008254	Pa×s	463.62	Joback Calculated Property
η	0.0003864	Pa×s	527.74	Joback Calculated Property
η	0.0002132	Pa×s	591.87	Joback Calculated Property
η	0.0001322	Pa×s	655.99	Joback Calculated Property
η	0.0000892	Pa×s	720.11	Joback Calculated Property
η	0.0000642	Pa×s	784.24	Joback Calculated Property
η	0.0000486	Pa×s	848.36	Joback 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

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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