Chemical Properties of Propyl glucuronide, acetate

InChI

InChI=1S/C15H22O10/c1-5-6-21-15-13(24-9(4)18)11(23-8(3)17)10(22-7(2)16)12(25-15)14(19)20/h10-13,15H,5-6H2,1-4H3,(H,19,20)

InChI Key

ULFDAGPSLQIKGA-UHFFFAOYSA-N

Formula

C15H22O10

SMILES

CCCOC1OC(C(=O)O)C(OC(C)=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°	53.94	kJ/mol	Joback Calculated Property
logPoct/wat	0.018		Crippen Calculated Property
McVol	252.850	ml/mol	McGowan Calculated Property
Inp	[1857.00; 1857.00]
Inp	1857.00		NIST
Inp	1857.00		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	[864.62; 892.64]	J/mol×K	[967.76; 1185.66]
Cp,gas	864.62	J/mol×K	967.76	Joback Calculated Property
Cp,gas	874.15	J/mol×K	1004.08	Joback Calculated Property
Cp,gas	881.76	J/mol×K	1040.39	Joback Calculated Property
Cp,gas	887.42	J/mol×K	1076.71	Joback Calculated Property
Cp,gas	891.07	J/mol×K	1113.03	Joback Calculated Property
Cp,gas	892.64	J/mol×K	1149.34	Joback Calculated Property
Cp,gas	892.09	J/mol×K	1185.66	Joback Calculated Property
η	[0.0000191; 0.0002152]	Pa×s	[625.26; 967.76]
η	0.0002152	Pa×s	625.26	Joback Calculated Property
η	0.0001215	Pa×s	682.34	Joback Calculated Property
η	0.0000749	Pa×s	739.43	Joback Calculated Property
η	0.0000495	Pa×s	796.51	Joback Calculated Property
η	0.0000345	Pa×s	853.59	Joback Calculated Property
η	0.0000252	Pa×s	910.68	Joback Calculated Property
η	0.0000191	Pa×s	967.76	Joback Calculated Property

Similar Compounds

Find more compounds similar to Propyl 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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