Chemical Properties of 1,6-Difluoro DBD

InChI

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

InChI Key

SUZZELGAHSENSY-UHFFFAOYSA-N

Formula

C12H6F2O2

SMILES

Fc1cccc2c1Oc1cccc(F)c1O2

Molecular Weight¹

220.17

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	-244.84	kJ/mol	Joback Calculated Property
ΔfH°gas	-420.75	kJ/mol	Joback Calculated Property
ΔfusH°	34.64	kJ/mol	Joback Calculated Property
ΔvapH°	56.94	kJ/mol	Joback Calculated Property
log10WS	-3.65		Crippen Calculated Property
logPoct/wat	3.863		Crippen Calculated Property
McVol	136.840	ml/mol	McGowan Calculated Property
Pc	3310.55	kPa	Joback Calculated Property
Inp	[1529.00; 1529.00]
Inp	1529.00		NIST
Inp	1529.00		NIST
Tboil	606.82	K	Joback Calculated Property
Tc	838.90	K	Joback Calculated Property
Tfus	407.94	K	Joback Calculated Property
Vc	0.535	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[331.26; 386.55]	J/mol×K	[606.82; 838.90]
Cp,gas	331.26	J/mol×K	606.82	Joback Calculated Property
Cp,gas	342.42	J/mol×K	645.50	Joback Calculated Property
Cp,gas	352.70	J/mol×K	684.18	Joback Calculated Property
Cp,gas	362.17	J/mol×K	722.86	Joback Calculated Property
Cp,gas	370.91	J/mol×K	761.54	Joback Calculated Property
Cp,gas	379.01	J/mol×K	800.22	Joback Calculated Property
Cp,gas	386.55	J/mol×K	838.90	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,6-Difluoro DBD.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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