Chemical Properties of 2,7-Dilfuoro DBD

InChI

InChI=1S/C12H6F2O2/c13-7-1-3-9-11(5-7)16-10-4-2-8(14)6-12(10)15-9/h1-6H

InChI Key

XCEVKCMPHQBYHL-UHFFFAOYSA-N

Formula

C12H6F2O2

SMILES

Fc1ccc2c(c1)Oc1ccc(F)cc1O2

Molecular Weight¹

220.17

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• 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).
• I_np : Non-polar retention indices.
• 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 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[186.04; 413.69]	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			-2.28700e+01
Coefficient B			9.52600e-01
Coefficient C			-7.50240e-04
Coefficient D			2.34200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	186.04	J/mol×K	273.00	Calculated Property
Cp,gas	230.61	J/mol×K	353.78	Calculated Property
Cp,gas	268.63	J/mol×K	434.56	Calculated Property
Cp,gas	300.85	J/mol×K	515.33	Calculated Property
Cp,gas	328.00	J/mol×K	596.11	Calculated Property
Cp,gas	350.82	J/mol×K	676.89	Calculated Property
Cp,gas	370.07	J/mol×K	757.67	Calculated Property
Cp,gas	386.46	J/mol×K	838.44	Calculated Property
Cp,gas	400.76	J/mol×K	919.22	Calculated Property
Cp,gas	413.69	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 2,7-Dilfuoro DBD.

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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