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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[260.72; 547.39]	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			-2.69900e+01
Coefficient B			1.32954e+00
Coefficient C			-1.10536e-03
Coefficient D			3.50200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	260.72	J/mol×K	273.00	Calculated Property
Cp,gas	320.53	J/mol×K	353.78	Calculated Property
Cp,gas	370.77	J/mol×K	434.56	Calculated Property
Cp,gas	412.54	J/mol×K	515.33	Calculated Property
Cp,gas	446.96	J/mol×K	596.11	Calculated Property
Cp,gas	475.12	J/mol×K	676.89	Calculated Property
Cp,gas	498.13	J/mol×K	757.67	Calculated Property
Cp,gas	517.11	J/mol×K	838.44	Calculated Property
Cp,gas	533.16	J/mol×K	919.22	Calculated Property
Cp,gas	547.39	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0016887; 0.0004256]	Pa×s	[448.08; 650.16]	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			-1.08178e+01
Coefficient B			1.98679e+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.			448.08
Temperature range, max.			650.16
η	0.0016887	Pa×s	448.08	Calculated Property
η	0.0013667	Pa×s	470.53	Calculated Property
η	0.0011276	Pa×s	492.99	Calculated Property
η	0.0009460	Pa×s	515.44	Calculated Property
η	0.0008054	Pa×s	537.89	Calculated Property
η	0.0006946	Pa×s	560.35	Calculated Property
η	0.0006059	Pa×s	582.80	Calculated Property
η	0.0005339	Pa×s	605.25	Calculated Property
η	0.0004748	Pa×s	627.71	Calculated Property
η	0.0004256	Pa×s	650.16	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

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