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

• ω : Acentric Factor.
• 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).
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.5197		Relay (... Calculated Property
ΔfG°	-244.84	kJ/mol	Joback Calculated Property
ΔfH°gas	-397.30	kJ/mol	Relay (... Calculated Property
ΔfusH°	34.64	kJ/mol	Joback Calculated Property
ΔvapH°	77.48	kJ/mol	Relay (... Calculated Property
IE	8.10	eV	Relay (... Calculated Property
log10WS	-6.15		Relay (... 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	530.00	K	Relay (... Calculated Property
Tc	833.50	K	Relay (... Calculated Property
Tfus	406.60	K	Relay (... Calculated Property
Vc	0.538	m3/kmol	Relay (... 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

• 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.