Chemical Properties of Isopropyl glucuronide, acetate

InChI

InChI=1S/C15H22O10/c1-6(2)21-15-13(24-9(5)18)11(23-8(4)17)10(22-7(3)16)12(25-15)14(19)20/h6,10-13,15H,1-5H3,(H,19,20)

InChI Key

FTQZASLCWAGSEX-UHFFFAOYSA-N

Formula

C15H22O10

SMILES

CC(=O)OC1C(OC(C)C)OC(C(=O)O)C(OC(C)=O)C1OC(C)=O

Molecular Weight¹

362.33

• 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°	59.62	kJ/mol	Joback Calculated Property
logPoct/wat	0.016		Crippen Calculated Property
McVol	252.850	ml/mol	McGowan Calculated Property
Inp	[1805.00; 1805.00]
Inp	1805.00		NIST
Inp	1805.00		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	[389.71; 878.57]	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			6.93700e+01
Coefficient B			1.27110e+00
Coefficient C			-3.18700e-04
Coefficient D			-1.43200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	389.71	J/mol×K	273.00	Calculated Property
Cp,gas	472.83	J/mol×K	353.78	Calculated Property
Cp,gas	549.80	J/mol×K	434.56	Calculated Property
Cp,gas	620.18	J/mol×K	515.33	Calculated Property
Cp,gas	683.50	J/mol×K	596.11	Calculated Property
Cp,gas	739.33	J/mol×K	676.89	Calculated Property
Cp,gas	787.20	J/mol×K	757.67	Calculated Property
Cp,gas	826.67	J/mol×K	838.44	Calculated Property
Cp,gas	857.28	J/mol×K	919.22	Calculated Property
Cp,gas	878.57	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0004517; 0.0000965]	Pa×s	[570.62; 789.16]	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			-1.32774e+01
Coefficient B			3.18123e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			570.62
Temperature range, max.			789.16
η	0.0004517	Pa×s	570.62	Calculated Property
η	0.0003598	Pa×s	594.90	Calculated Property
η	0.0002917	Pa×s	619.18	Calculated Property
η	0.0002403	Pa×s	643.47	Calculated Property
η	0.0002008	Pa×s	667.75	Calculated Property
η	0.0001699	Pa×s	692.03	Calculated Property
η	0.0001454	Pa×s	716.31	Calculated Property
η	0.0001257	Pa×s	740.59	Calculated Property
η	0.0001096	Pa×s	764.87	Calculated Property
η	0.0000965	Pa×s	789.16	Calculated Property

Similar Compounds

Find more compounds similar to Isopropyl 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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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