Chemical Properties of Isobenzofuran-1(3H)-one, 3,6,7-trimethoxy-

InChI

InChI=1S/C11H12O5/c1-13-7-5-4-6-8(9(7)14-2)10(12)16-11(6)15-3/h4-5,11H,1-3H3

InChI Key

LQKGJNWATGCZSR-UHFFFAOYSA-N

Formula

C11H12O5

SMILES

COc1ccc2c(c1OC)C(=O)OC2OC

Molecular Weight¹

224.21

Other Names

• 3,6,7-Trimethoxyisobenzofuran-1(3H)-one

• 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).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate 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 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	[397.60; 461.45]	J/mol×K	[616.58; 820.66]
Cp,gas	397.60	J/mol×K	616.58	Joback Calculated Property
Cp,gas	409.82	J/mol×K	650.59	Joback Calculated Property
Cp,gas	421.41	J/mol×K	684.61	Joback Calculated Property
Cp,gas	432.36	J/mol×K	718.62	Joback Calculated Property
Cp,gas	442.68	J/mol×K	752.63	Joback Calculated Property
Cp,gas	452.38	J/mol×K	786.65	Joback Calculated Property
Cp,gas	461.45	J/mol×K	820.66	Joback Calculated Property
η	[0.0003745; 0.0008664]	Pa×s	[411.71; 616.58]
η	0.0008664	Pa×s	411.71	Joback Calculated Property
η	0.0007141	Pa×s	445.86	Joback Calculated Property
η	0.0006050	Pa×s	480.00	Joback Calculated Property
η	0.0005240	Pa×s	514.14	Joback Calculated Property
η	0.0004620	Pa×s	548.29	Joback Calculated Property
η	0.0004134	Pa×s	582.43	Joback Calculated Property
η	0.0003745	Pa×s	616.58	Joback Calculated Property

Similar Compounds

Find more compounds similar to Isobenzofuran-1(3H)-one, 3,6,7-trimethoxy-.

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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