Chemical Properties of Perfluoroeicosane (CAS 37589-57-4)

InChI

InChI=1S/C20F42/c21-1(22,3(25,26)5(29,30)7(33,34)9(37,38)11(41,42)13(45,46)15(49,50)17(53,54)19(57,58)59)2(23,24)4(27,28)6(31,32)8(35,36)10(39,40)12(43,44)14(47,48)16(51,52)18(55,56)20(60,61)62

InChI Key

WSXNCJNDCDTRSA-UHFFFAOYSA-N

Formula

C20F42

SMILES

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

Molecular Weight¹

1038.15

CAS

37589-57-4

Other Names

• dotetracontafluoroeicosane
• dotetracontafluoroicosane
• eicosane, dotetracontafluoro-

• 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_fusH : Enthalpy of fusion at a given temperature (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).
• Δ_fusS : Entropy of fusion at a given temperature (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	0.9789		Relay (1.0) Calculated Property
ΔfG°	-8007.70	kJ/mol	Joback Calculated Property
ΔfH°gas	-8645.09	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	50.30	kJ/mol	Applications of Correlation Gas Chromatography and Transpiration Studies for the Evaluation of the Vaporization and Sublimation Enthalpies of Some Perfluorinated Hydrocarbons
ΔvapH°	81.35	kJ/mol	Relay (1.0) Calculated Property
IE	12.22	eV	Relay (1.0) Calculated Property
log10WS	-14.95		Relay (1.0) Calculated Property
logPoct/wat	13.546		Crippen Calculated Property
McVol	367.000	ml/mol	McGowan Calculated Property
Pc	462.88	kPa	Joback Calculated Property
Tboil	571.26	K	Relay (1.0) Calculated Property
Tc	613.12	K	Relay (1.0) Calculated Property
Tfus	[435.60; 443.20]	K
Tfus	437.90 ± 0.50	K	NIST
Tfus	437.90 ± 0.20	K	NIST
Tfus	435.60 ± 0.20	K	NIST
Tfus	443.20 ± 0.20	K	NIST
Vc	1.697	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1211.64; 1300.76]	J/mol×K	[561.74; 699.59]
Cp,gas	1211.64	J/mol×K	561.74	Joback Calculated Property
Cp,gas	1230.93	J/mol×K	584.72	Joback Calculated Property
Cp,gas	1248.26	J/mol×K	607.69	Joback Calculated Property
Cp,gas	1263.77	J/mol×K	630.67	Joback Calculated Property
Cp,gas	1277.60	J/mol×K	653.64	Joback Calculated Property
Cp,gas	1289.88	J/mol×K	676.62	Joback Calculated Property
Cp,gas	1300.76	J/mol×K	699.59	Joback Calculated Property
ΔfusH	[0.67; 80.33]	kJ/mol	[149.50; 437.90]
ΔfusH	0.67	kJ/mol	149.50	NIST
ΔfusH	11.25	kJ/mol	202.90	NIST
ΔfusH	80.33	kJ/mol	437.90	NIST
ΔfusH	80.33	kJ/mol	437.90	NIST
ΔfusS	[4.48; 183.44]	J/mol×K	[149.50; 437.90]
ΔfusS	4.48	J/mol×K	149.50	NIST
ΔfusS	55.45	J/mol×K	202.90	NIST
ΔfusS	183.44	J/mol×K	437.90	NIST

Similar Compounds

Find more compounds similar to Perfluoroeicosane.

Sources

• 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

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