Chemical Properties of Butane, 1,1,1,2,3,3,4,4,4-nonafluoro-2-(trifluoromethyl)- (CAS 594-91-2)

InChI

InChI=1S/C5F12/c6-1(3(9,10)11,4(12,13)14)2(7,8)5(15,16)17

InChI Key

MPEFSWGYIJNMCW-UHFFFAOYSA-N

Formula

C5F12

SMILES

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

Molecular Weight¹

288.03

CAS

594-91-2

Other Names

• Butane, nonafluoro-2-(trifluoromethyl)-
• Perfluoro-2-methylbutane

• 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 standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• 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).
• 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
ΔfG°	-2332.30	kJ/mol	Joback Calculated Property
ΔfH°gas	-2543.60	kJ/mol	Joback Calculated Property
ΔfusH°	8.60	kJ/mol	Joback Calculated Property
ΔvapH°	[26.30; 27.40]	kJ/mol
ΔvapH°	26.30	kJ/mol	NIST
ΔvapH°	27.40	kJ/mol	NIST
log10WS	-4.18		Crippen Calculated Property
logPoct/wat	4.017		Crippen Calculated Property
McVol	102.550	ml/mol	McGowan Calculated Property
Pc	2177.49	kPa	Joback Calculated Property
Tboil	288.89	K	Joback Calculated Property
Tc	402.87	K	Joback Calculated Property
Tfus	165.29	K	Joback Calculated Property
Ttriple	175.35 ± 0.30	K	NIST
Vc	0.476	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[212.63; 271.83]	J/mol×K	[288.89; 402.87]
Cp,gas	212.63	J/mol×K	288.89	Joback Calculated Property
Cp,gas	224.00	J/mol×K	307.89	Joback Calculated Property
Cp,gas	234.73	J/mol×K	326.88	Joback Calculated Property
Cp,gas	244.87	J/mol×K	345.88	Joback Calculated Property
Cp,gas	254.41	J/mol×K	364.88	Joback Calculated Property
Cp,gas	263.40	J/mol×K	383.87	Joback Calculated Property
Cp,gas	271.83	J/mol×K	402.87	Joback Calculated Property
ΔvapH	31.00	kJ/mol	268.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.62]	kPa	[222.72; 323.78]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.38271e+01
Coefficient B			-2.31947e+03
Coefficient C			-5.14040e+01
Temperature range, min.			222.72
Temperature range, max.			323.78
Pvap	1.33	kPa	222.72	Calculated Property
Pvap	3.07	kPa	233.95	Calculated Property
Pvap	6.40	kPa	245.18	Calculated Property
Pvap	12.34	kPa	256.41	Calculated Property
Pvap	22.20	kPa	267.64	Calculated Property
Pvap	37.71	kPa	278.86	Calculated Property
Pvap	60.92	kPa	290.09	Calculated Property
Pvap	94.27	kPa	301.32	Calculated Property
Pvap	140.50	kPa	312.55	Calculated Property
Pvap	202.62	kPa	323.78	Calculated Property

Similar Compounds

Find more compounds similar to Butane, 1,1,1,2,3,3,4,4,4-nonafluoro-2-(trifluoromethyl)-.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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