Chemical Properties of 3-(2,2,2-Trichloro-1,1-dimethylethoxy)-2-benzofuran-1(3h)-one

InChI

InChI=1S/C12H11Cl3O3/c1-11(2,12(13,14)15)18-10-8-6-4-3-5-7(8)9(16)17-10/h3-6,10H,1-2H3

InChI Key

XFHFPSJKJWQYGG-UHFFFAOYSA-N

Formula

C12H11Cl3O3

SMILES

CC(C)(OC1OC(=O)c2ccccc21)C(Cl)(Cl)Cl

Molecular Weight¹

309.58

• 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).
• 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	[479.32; 534.92]	J/mol×K	[690.49; 928.80]
Cp,gas	479.32	J/mol×K	690.49	Joback Calculated Property
Cp,gas	490.82	J/mol×K	730.21	Joback Calculated Property
Cp,gas	501.25	J/mol×K	769.93	Joback Calculated Property
Cp,gas	510.74	J/mol×K	809.65	Joback Calculated Property
Cp,gas	519.43	J/mol×K	849.37	Joback Calculated Property
Cp,gas	527.45	J/mol×K	889.08	Joback Calculated Property
Cp,gas	534.92	J/mol×K	928.80	Joback Calculated Property
η	[0.0003561; 0.0016887]	Pa×s	[448.08; 690.49]
η	0.0016887	Pa×s	448.08	Joback Calculated Property
η	0.0011703	Pa×s	488.48	Joback Calculated Property
η	0.0008577	Pa×s	528.88	Joback Calculated Property
η	0.0006570	Pa×s	569.28	Joback Calculated Property
η	0.0005213	Pa×s	609.69	Joback Calculated Property
η	0.0004258	Pa×s	650.09	Joback Calculated Property
η	0.0003561	Pa×s	690.49	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3-(2,2,2-Trichloro-1,1-dimethylethoxy)-2-benzofuran-1(3h)-one.

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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