Chemical Properties of Perfluorodecalin (CAS 306-94-5)

InChI

InChI=1S/C10F18/c11-1-2(12,5(17,18)9(25,26)7(21,22)3(1,13)14)6(19,20)10(27,28)8(23,24)4(1,15)16

InChI Key

UWEYRJFJVCLAGH-UHFFFAOYSA-N

Formula

C10F18

SMILES

FC1(F)C(F)(F)C(F)(F)C2(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C2(F)C1(F)F

Molecular Weight¹

462.08

CAS

306-94-5

Other Names

• 1,1,2,2,3,3,4,4,4a,5,5,6,6,7,7,8,8,8a-Octadecafluorodecahydronaphthalene
• F-DC
• NSC 97066
• Naphthalene, 1,1,2,2,3,3,4,4,4a,5,5,6,6,7,7,8,8,8a-octadecafluorodecahydro-
• PP 5
• decalin perfluoride
• naphthalene, octadecafluorodecahydro-
• octadecafluorodecahydronaphthalene
• octadecafluorodecalin
• perflunafene
• perfluorodecahydronaphthalene

• 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).
• ν : Kinematic viscosity (m²/s).
• 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).
• P_vap : Vapor pressure (kPa).
• γ : Surface Tension (N/m).
• 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	0.3920		KDB
ΔfH°gas	-3630.70	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	10.55	kJ/mol	Joback Calculated Property
ΔvapH°	41.50 ± 0.50	kJ/mol	NIST
IE	12.52	eV	Relay (1.0) Calculated Property
log10WS	-7.30		Relay (1.0) Calculated Property
logPoct/wat	5.513		Crippen Calculated Property
McVol	161.900	ml/mol	McGowan Calculated Property
Pc	[1520.00; 1780.00]	kPa
Pc	1780.00	kPa	IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 10 Compiled value
Pc	1520.00	kPa	KDB
Tboil	[415.00; 415.20]	K
Tboil	415.00	K	KDB
Tboil	415.00	K	NIST
Tboil	415.20	K	NIST
Tc	[565.00; 566.00]	K
Tc	565.00	K	IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 10 Compiled value
Tc	566.00	K	KDB
Tfus	[263.00; 263.15]	K
Tfus	263.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	263.00	K	KDB
Vc	0.722	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
ν	[0.0000017; 0.0000028]	m2/s	[298.15; 318.15]
ν	0.0000028	m2/s	298.15	Viscosities of Liquid Fluorocompounds
ν	0.0000024	m2/s	303.15	Viscosities of Liquid Fluorocompounds
ν	0.0000022	m2/s	308.15	Viscosities of Liquid Fluorocompounds
ν	0.0000019	m2/s	313.15	Viscosities of Liquid Fluorocompounds
ν	0.0000017	m2/s	318.15	Viscosities of Liquid Fluorocompounds
Pvap	[0.57; 5.47]	kPa	[288.25; 333.20]
Pvap	0.57	kPa	288.25	Densities and Vapor Pressures of Highly Fluorinated Compounds
Pvap	0.73	kPa	293.25	Densities and Vapor Pressures of Highly Fluorinated Compounds
Pvap	0.91	kPa	298.21	Densities and Vapor Pressures of Highly Fluorinated Compounds
Pvap	1.25	kPa	303.29	Densities and Vapor Pressures of Highly Fluorinated Compounds
Pvap	1.59	kPa	308.23	Densities and Vapor Pressures of Highly Fluorinated Compounds
Pvap	2.05	kPa	313.22	Densities and Vapor Pressures of Highly Fluorinated Compounds
Pvap	2.66	kPa	318.21	Densities and Vapor Pressures of Highly Fluorinated Compounds
Pvap	3.45	kPa	323.18	Densities and Vapor Pressures of Highly Fluorinated Compounds
Pvap	4.41	kPa	328.17	Densities and Vapor Pressures of Highly Fluorinated Compounds
Pvap	5.47	kPa	333.20	Densities and Vapor Pressures of Highly Fluorinated Compounds
γ	[0.02; 0.02]	N/m	[288.15; 327.15]
γ	0.02	N/m	288.15	Surface Tension of Liquid Fluorocompounds
γ	0.02	N/m	293.15	Surface Tension of Liquid Fluorocompounds
γ	0.02	N/m	298.15	Surface Tension of Liquid Fluorocompounds
γ	0.02	N/m	303.15	Surface Tension of Liquid Fluorocompounds
γ	0.02	N/m	308.15	Surface Tension of Liquid Fluorocompounds
γ	0.02	N/m	318.15	Surface Tension of Liquid Fluorocompounds
γ	0.02	N/m	327.15	Surface Tension of Liquid Fluorocompounds

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[277.58; 755.67]	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			-4.69930e+02
Coefficient B			4.13660e+00
Coefficient C			-5.95300e-03
Coefficient D			3.04200e-06
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	277.58	J/mol×K	273.00	Calculated Property
Cp,gas	383.13	J/mol×K	353.78	Calculated Property
Cp,gas	453.13	J/mol×K	434.56	Calculated Property
Cp,gas	497.19	J/mol×K	515.33	Calculated Property
Cp,gas	524.93	J/mol×K	596.11	Calculated Property
Cp,gas	545.99	J/mol×K	676.89	Calculated Property
Cp,gas	569.97	J/mol×K	757.67	Calculated Property
Cp,gas	606.49	J/mol×K	838.44	Calculated Property
Cp,gas	665.19	J/mol×K	919.22	Calculated Property
Cp,gas	755.67	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Perfluorodecalin.

Mixtures

• Perfluorodecalin + Carbon dioxide
• Perfluorodecalin + Water

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
• Low pressure solubility and thermodynamics of solvation of oxygen, carbon dioxide, and carbon monoxide in fluorinated liquids
• Solubility of water in fluorocarbons: Experimental and COSMO-RS prediction results
• (Liquid + liquid) equilibria of perfluorocarbons with fluorinated ionic liquids
• Densities and Vapor Pressures of Highly Fluorinated Compounds
• Surface Tension of Liquid Fluorocompounds
• Viscosities of Liquid Fluorocompounds
• Joback Method
• KDB
• 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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
These property values are available through the Cheméo API. A free account gives you an access key.