Chemical Properties of 1,3-Butadiene, 1,1,2,3,4,4-hexafluoro- (CAS 685-63-2)

InChI

InChI=1S/C4F6/c5-1(3(7)8)2(6)4(9)10

InChI Key

LGPPATCNSOSOQH-UHFFFAOYSA-N

Formula

C4F6

SMILES

FC(F)=C(F)C(F)=C(F)F

Molecular Weight¹

162.03

CAS

685-63-2

Other Names

• 1,1,2,3,4,4-Hexafluoro-1,3-butadiene
• 1,1,2,3,4,4-hexafluorobuta-1,3-diene
• CF2=CFCF=CF2
• Hexafluoro-1,3-butadiene
• Hexafluorobutadiene-1,3
• Perfluoro-1,3-butadiene
• Perfluorobutadiene-1,3

• 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 a given temperature (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• 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).
• Z_c : Critical Compressibility.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Enthalpy of vaporization at standard conditions, 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.

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[112.13; 205.87]	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			8.67000e+00
Coefficient B			4.94200e-01
Coefficient C			-4.69000e-04
Coefficient D			1.72000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	112.13	J/mol×K	273.00	Calculated Property
Cp,gas	132.42	J/mol×K	353.78	Calculated Property
Cp,gas	148.98	J/mol×K	434.56	Calculated Property
Cp,gas	162.34	J/mol×K	515.33	Calculated Property
Cp,gas	173.04	J/mol×K	596.11	Calculated Property
Cp,gas	181.65	J/mol×K	676.89	Calculated Property
Cp,gas	188.69	J/mol×K	757.67	Calculated Property
Cp,gas	194.71	J/mol×K	838.44	Calculated Property
Cp,gas	200.25	J/mol×K	919.22	Calculated Property
Cp,gas	205.87	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 1,3-Butadiene, 1,1,2,3,4,4-hexafluoro-.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 10 ChEDL chemicals 1.5.2, from Marsh, K. N.; Abramson, A.; Ambrose, D.; Morton, D. W.; Nikitin, E.; Tsonopoulos, C.; Young, C. L. Vapor-Liquid Critical Properties of Elements and Compounds. 10. Organic Compounds Containing Halogens. J. Chem. Eng. Data 2007, 52, 1509-1538.
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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