Chemical Properties of trans-Perfluorodecalin (CAS 60433-12-7)

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/t1-,2-

InChI Key

UWEYRJFJVCLAGH-IJWZVTFUSA-N

Formula

C10F18

SMILES

FC1(F)C(F)(F)C(F)(F)[C@]2(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)[C@@]2(F)C1(F)F

Molecular Weight¹

462.07

CAS

60433-12-7

Other Names

• trans-Octadecafluorodecahydronaphthalene

• ω : Acentric Factor.
• Δ_cH°_liquid : Standard liquid 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_sat : Molar heat capacity at saturation pressure (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_liquid : Liquid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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).
• P_vap : Vapor pressure (kPa).
• Δ_fusS : Entropy of fusion at a given temperature (J/mol×K).
• S°_liquid : Liquid 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).
• T_triple : Triple Point Temperature (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.4522		Relay (1.0) Calculated Property
ΔcH°liquid	-3466.70 ± 3.90	kJ/mol	NIST
ΔfH°gas	-3644.50 ± 3.90	kJ/mol	NIST
ΔfH°liquid	-3689.90 ± 3.90	kJ/mol	NIST
ΔfusH°	10.55	kJ/mol	Joback Calculated Property
ΔvapH°	[45.40; 45.90]	kJ/mol
ΔvapH°	45.40 ± 0.10	kJ/mol	NIST
ΔvapH°	45.40 ± 0.08	kJ/mol	NIST
ΔvapH°	45.90 ± 0.60	kJ/mol	NIST
ΔvapH°	45.40 ± 0.10	kJ/mol	NIST
IE	12.56	eV	Relay (1.0) Calculated Property
log10WS	-7.28		Relay (1.0) Calculated Property
logPoct/wat	5.513		Crippen Calculated Property
McVol	161.900	ml/mol	McGowan Calculated Property
Pc	1676.91	kPa	Joback Calculated Property
S°liquid	517.10	J/mol×K	NIST
Tboil	409.47	K	Relay (1.0) Calculated Property
Tc	566.93	K	Relay (1.0) Calculated Property
Tfus	276.52	K	Relay (1.0) Calculated Property
Ttriple	[294.61; 294.61]	K
Ttriple	294.61 ± 0.01	K	NIST
Ttriple	294.61 ± 0.01	K	NIST
Vc	0.744	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
Cp,gas	[435.71; 507.46]	J/mol×K	[410.86; 541.41]
Cp,gas	435.71	J/mol×K	410.86	Joback Calculated Property
Cp,gas	451.79	J/mol×K	432.62	Joback Calculated Property
Cp,gas	465.97	J/mol×K	454.38	Joback Calculated Property
Cp,gas	478.44	J/mol×K	476.14	Joback Calculated Property
Cp,gas	489.38	J/mol×K	497.89	Joback Calculated Property
Cp,gas	499.00	J/mol×K	519.65	Joback Calculated Property
Cp,gas	507.46	J/mol×K	541.41	Joback Calculated Property
Cp,liquid	446.80	J/mol×K	298.15	NIST
Csat	[444.10; 453.30]	J/mol×K	[295.00; 305.00]
Csat	444.10	J/mol×K	295.00	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
Csat	447.00	J/mol×K	298.15	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
Csat	448.70	J/mol×K	300.00	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
Csat	453.30	J/mol×K	305.00	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
ΔfusH	[17.96; 17.96]	kJ/mol	[294.60; 294.61]
ΔfusH	17.96	kJ/mol	294.60	NIST
ΔfusH	17.96	kJ/mol	294.61	NIST
ΔfusH	17.96	kJ/mol	294.61	NIST
ΔvapH	43.30	kJ/mol	366.00	NIST
ΔfusS	[61.09; 61.09]	J/mol×K	[294.61; 294.61]
ΔfusS	61.09	J/mol×K	294.61	NIST
ΔfusS	61.09	J/mol×K	294.61	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[305.27; 442.61]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.37219e+01
Coefficient B			-3.08882e+03
Coefficient C			-7.53520e+01
Temperature range, min.			305.27
Temperature range, max.			442.61
Pvap	1.33	kPa	305.27	Calculated Property
Pvap	3.08	kPa	320.53	Calculated Property
Pvap	6.44	kPa	335.79	Calculated Property
Pvap	12.41	kPa	351.05	Calculated Property
Pvap	22.33	kPa	366.31	Calculated Property
Pvap	37.90	kPa	381.57	Calculated Property
Pvap	61.17	kPa	396.83	Calculated Property
Pvap	94.55	kPa	412.09	Calculated Property
Pvap	140.72	kPa	427.35	Calculated Property
Pvap	202.64	kPa	442.61	Calculated Property

Similar Compounds

Find more compounds similar to trans-Perfluorodecalin.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure
• 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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