Chemical Properties of 2,3,7,8-Tetrafluoro DBD

InChI

InChI=1S/C12H4F4O2/c13-5-1-9-10(2-6(5)14)18-12-4-8(16)7(15)3-11(12)17-9/h1-4H

InChI Key

NOZDVIWMUAUYAV-UHFFFAOYSA-N

Formula

C12H4F4O2

SMILES

Fc1cc2c(cc1F)Oc1cc(F)c(F)cc1O2

Molecular Weight¹

256.15

• ω : Acentric Factor.
• 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).
• Δ_vapH° : Enthalpy of vaporization 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).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.5805		Relay (1.0) Calculated Property
ΔfH°gas	-761.38	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	40.03	kJ/mol	Joback Calculated Property
ΔvapH°	77.22	kJ/mol	Relay (1.0) Calculated Property
IE	8.19	eV	Relay (1.0) Calculated Property
log10WS	-7.56		Relay (1.0) Calculated Property
logPoct/wat	4.141		Crippen Calculated Property
McVol	140.380	ml/mol	McGowan Calculated Property
Pc	2896.73	kPa	Joback Calculated Property
Inp	[1519.00; 1519.00]
Inp	1519.00		NIST
Inp	1519.00		NIST
Tboil	533.06	K	Relay (1.0) Calculated Property
Tc	805.45	K	Relay (1.0) Calculated Property
Tfus	446.69	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation 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	[207.54; 421.75]	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			1.79100e+01
Coefficient B			8.57200e-01
Coefficient C			-6.48960e-04
Coefficient D			1.95600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	207.54	J/mol×K	273.00	Calculated Property
Cp,gas	248.61	J/mol×K	353.78	Calculated Property
Cp,gas	283.91	J/mol×K	434.56	Calculated Property
Cp,gas	314.08	J/mol×K	515.33	Calculated Property
Cp,gas	339.72	J/mol×K	596.11	Calculated Property
Cp,gas	361.46	J/mol×K	676.89	Calculated Property
Cp,gas	379.92	J/mol×K	757.67	Calculated Property
Cp,gas	395.70	J/mol×K	838.44	Calculated Property
Cp,gas	409.44	J/mol×K	919.22	Calculated Property
Cp,gas	421.75	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 2,3,7,8-Tetrafluoro DBD.

Sources

• Cheméo Relay (1.0)
• 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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