Chemical Properties of 1,1'-Biphenyl, 2,2',3,3',4,4',5,5',6,6'-decafluoro- (CAS 434-90-2)

InChI

InChI=1S/C12F10/c13-3-1(4(14)8(18)11(21)7(3)17)2-5(15)9(19)12(22)10(20)6(2)16

InChI Key

ONUFSRWQCKNVSL-UHFFFAOYSA-N

Formula

C12F10

SMILES

Fc1c(F)c(F)c(-c2c(F)c(F)c(F)c(F)c2F)c(F)c1F

Molecular Weight¹

334.11

CAS

434-90-2

Other Names

• 1,1'-Biphenyl,decafluoro-
• 2,2',3,3',4,4',5,5',6,6'-decafluoro-1,1'-biphenyl
• Biphenyl, decafluoro-
• Perfluorodiphenyl
• decafluorobiphenyl
• perfluorobiphenyl

• ω : Acentric Factor.
• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,liquid : Liquid phase heat capacity (J/mol×K).
• C_p,solid : Solid phase heat capacity (J/mol×K).
• EA : Electron affinity (eV).
• 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_subH : Enthalpy of sublimation at a given temperature (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).
• S°_{solid,1 bar} : Solid phase molar entropy at standard conditions (J/mol×K).
• 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	0.5549		Relay (1.0) Calculated Property
ΔcH°solid	-4404.10 ± 5.10	kJ/mol	NIST
EA	0.82 ± 0.11	eV	NIST
ΔfG°	-1769.42	kJ/mol	Joback Calculated Property
ΔfH°gas	-1264.20 ± 5.80	kJ/mol	NIST
ΔfusH°	20.50	kJ/mol	Applications of Correlation Gas Chromatography and Transpiration Studies for the Evaluation of the Vaporization and Sublimation Enthalpies of Some Perfluorinated Hydrocarbons
IE	[9.40; 10.00]	eV
IE	9.40 ± 0.02	eV	NIST
IE	10.00 ± 0.10	eV	NIST
logPoct/wat	4.745		Crippen Calculated Property
McVol	150.120	ml/mol	McGowan Calculated Property
Pc	1877.28	kPa	Joback Calculated Property
S°solid,1 bar	[377.40; 380.62]	J/mol×K
S°solid,1 bar	377.40	J/mol×K	NIST
S°solid,1 bar	380.62	J/mol×K	NIST
Tboil	[479.00; 479.20]	K
Tboil	479.00	K	NIST
Tboil	479.20	K	NIST
Tc	640.00	K	IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 10 Compiled value
Tfus	340.65	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Vc	0.603	m3/kmol	Relay (1.0) Calculated Property

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

Property	Value	Unit	Temperature (K)	Source
Cp,liquid	[407.70; 408.10]	J/mol×K	[348.00; 350.00]
Cp,liquid	407.70	J/mol×K	348.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	408.10	J/mol×K	350.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,solid	[317.40; 323.40]	J/mol×K	[298.15; 300.70]
Cp,solid	317.40	J/mol×K	298.15	NIST
Cp,solid	323.40	J/mol×K	300.70	NIST
ΔsubH	[85.30; 87.80]	kJ/mol	[283.00; 310.00]
ΔsubH	85.30 ± 2.30	kJ/mol	283.00	NIST
ΔsubH	87.80	kJ/mol	310.00	NIST
ΔvapH	49.90	kJ/mol	530.50	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[253.03; 441.67]	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			1.28070e+02
Coefficient B			5.09000e-01
Coefficient C			-1.85000e-04
Coefficient D			-1.04000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	253.03	J/mol×K	273.00	Calculated Property
Cp,gas	284.53	J/mol×K	353.78	Calculated Property
Cp,gas	313.47	J/mol×K	434.56	Calculated Property
Cp,gas	339.82	J/mol×K	515.33	Calculated Property
Cp,gas	363.55	J/mol×K	596.11	Calculated Property
Cp,gas	384.62	J/mol×K	676.89	Calculated Property
Cp,gas	403.00	J/mol×K	757.67	Calculated Property
Cp,gas	418.66	J/mol×K	838.44	Calculated Property
Cp,gas	431.56	J/mol×K	919.22	Calculated Property
Cp,gas	441.67	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 1,1'-Biphenyl, 2,2',3,3',4,4',5,5',6,6'-decafluoro-.

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
• Applications of Correlation Gas Chromatography and Transpiration Studies for the Evaluation of the Vaporization and Sublimation Enthalpies of Some Perfluorinated Hydrocarbons
• Joback Method
• McGowan Method
• NIST Webbook
• Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD

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