Chemical Properties of Butyl glucuronide, methyl ester, triacetate

InChI

InChI=1S/C17H26O10/c1-6-7-8-23-17-15(26-11(4)20)13(25-10(3)19)12(24-9(2)18)14(27-17)16(21)22-5/h12-15,17H,6-8H2,1-5H3

InChI Key

PFVMVZJERPAPSY-UHFFFAOYSA-N

Formula

C17H26O10

SMILES

CCCCOC1OC(C(=O)OC)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

Molecular Weight¹

390.38

• 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°	62.55	kJ/mol	Joback Calculated Property
logPoct/wat	0.496		Crippen Calculated Property
McVol	281.030	ml/mol	McGowan Calculated Property
Inp	[2046.00; 2046.00]
Inp	2046.00		NIST
Inp	2046.00		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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[936.00; 990.29]	J/mol×K	[871.68; 1074.64]
Cp,gas	936.00	J/mol×K	871.68	Joback Calculated Property
Cp,gas	949.85	J/mol×K	905.51	Joback Calculated Property
Cp,gas	961.84	J/mol×K	939.33	Joback Calculated Property
Cp,gas	971.92	J/mol×K	973.16	Joback Calculated Property
Cp,gas	980.06	J/mol×K	1006.99	Joback Calculated Property
Cp,gas	986.20	J/mol×K	1040.81	Joback Calculated Property
Cp,gas	990.29	J/mol×K	1074.64	Joback Calculated Property
η	[0.0000460; 0.0006439]	Pa×s	[489.89; 871.68]
η	0.0006439	Pa×s	489.89	Joback Calculated Property
η	0.0003220	Pa×s	553.52	Joback Calculated Property
η	0.0001858	Pa×s	617.15	Joback Calculated Property
η	0.0001188	Pa×s	680.79	Joback Calculated Property
η	0.0000820	Pa×s	744.42	Joback Calculated Property
η	0.0000600	Pa×s	808.05	Joback Calculated Property
η	0.0000460	Pa×s	871.68	Joback Calculated Property

Similar Compounds

Find more compounds similar to Butyl 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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