Chemical Properties of 1-Pentanol, 2,2,3,3,4,4,5,5-octafluoro- (CAS 355-80-6)

InChI

InChI=1S/C5H4F8O/c6-2(7)4(10,11)5(12,13)3(8,9)1-14/h2,14H,1H2

InChI Key

JUGSKHLZINSXPQ-UHFFFAOYSA-N

Formula

C5H4F8O

SMILES

OCC(F)(F)C(F)(F)C(F)(F)C(F)F

Molecular Weight¹

232.07

CAS

355-80-6

Other Names

• 1,1,5-Trihydrooctafluoro-1-pentanol
• 1,1,5-Trihydrooctafluoropentan-1-ol
• 1,1,5-Trihydrooctafluoropentyl alcohol
• 1,1,5H-perfluoropentanol
• 1H,1H,5H-Octafluoro-1-pentanol
• 2,2,3,3,4,4,5,5-Octafluoropentanol
• 2,2,3,3,4,4,5,5-Octafluoropentyl alcohol
• 2,2,3,3,4,4,5,5-octafluoro-1-pentanol
• 2,2,3,3,4,4,5,5-octafluoropentan-1-ol
• NSC 114
• «alpha»,«alpha»,«omega»-Trihydroperfluoropentanol

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (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).
• P_vap : Vapor pressure (kPa).
• n₀ : Refractive Index.
• ρ_l : Liquid Density (kg/m³).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• V_c : Critical Volume (m³/kmol).
• Z_c : Critical Compressibility.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	11.67	kJ/mol	Joback Calculated Property
ΔvapH°	62.36	kJ/mol	Relay (1.0) Calculated Property
IE	10.87	eV	Relay (1.0) Calculated Property
logPoct/wat	2.150		Crippen Calculated Property
McVol	101.340	ml/mol	McGowan Calculated Property
Pc	2750.00	kPa	IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 11 Compiled value
Inp	[743.00; 759.00]
Inp	759.00		NIST
Inp	748.00		NIST
Inp	743.00		NIST
Tboil	[413.50; 413.70]	K
Tboil	413.50 ± 0.50	K	NIST
Tboil	413.70	K	NIST
Tc	571.20	K	IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 11 Compiled value
Vc	0.424	m3/kmol	IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 11 Compiled value
Zc	0.2460000		IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 11 Compiled value

Cheméo can also estimate Normal melting (fusion) point, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, 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
Pvap	[53.30; 80.00]	kPa	[394.71; 406.16]
Pvap	53.30	kPa	394.71	Isobaric Vapor Liquid Equilibrium for Binary Systems of 2,2,3,3-Tetrafluoro-1-propanol + 2,2,3,3,4,4,5,5-Octafluoro-1-pentanol at 53.3, 66.7, 80.0 kPa
Pvap	66.70	kPa	400.93	Isobaric Vapor Liquid Equilibrium for Binary Systems of 2,2,3,3-Tetrafluoro-1-propanol + 2,2,3,3,4,4,5,5-Octafluoro-1-pentanol at 53.3, 66.7, 80.0 kPa
Pvap	80.00	kPa	406.16	Isobaric Vapor Liquid Equilibrium for Binary Systems of 2,2,3,3-Tetrafluoro-1-propanol + 2,2,3,3,4,4,5,5-Octafluoro-1-pentanol at 53.3, 66.7, 80.0 kPa
n0	1.31710		293.15	Liquid-Liquid Equilibrium for the Ternary System 2,2,3,3,4,4,5,5-Octafluoro-1-Pentanol + Ethanol + Water at (298.15, 308.15, and 318.15) K
ρl	[1596.00; 1674.20]	kg/m3	[293.15; 342.25]
ρl	1674.20	kg/m3	293.15	Measurements and correlations of density, viscosity, and vapour-liquid equilibrium for fluoro alcohols
ρl	1667.00	kg/m3	301.55	Measurements and correlations of density, viscosity, and vapour-liquid equilibrium for fluoro alcohols
ρl	1659.00	kg/m3	306.15	Measurements and correlations of density, viscosity, and vapour-liquid equilibrium for fluoro alcohols
ρl	1655.20	kg/m3	309.05	Measurements and correlations of density, viscosity, and vapour-liquid equilibrium for fluoro alcohols
ρl	1649.20	kg/m3	312.65	Measurements and correlations of density, viscosity, and vapour-liquid equilibrium for fluoro alcohols
ρl	1643.00	kg/m3	316.15	Measurements and correlations of density, viscosity, and vapour-liquid equilibrium for fluoro alcohols
ρl	1636.40	kg/m3	319.35	Measurements and correlations of density, viscosity, and vapour-liquid equilibrium for fluoro alcohols
ρl	1630.40	kg/m3	323.25	Measurements and correlations of density, viscosity, and vapour-liquid equilibrium for fluoro alcohols
ρl	1623.20	kg/m3	327.05	Measurements and correlations of density, viscosity, and vapour-liquid equilibrium for fluoro alcohols
ρl	1617.80	kg/m3	330.65	Measurements and correlations of density, viscosity, and vapour-liquid equilibrium for fluoro alcohols
ρl	1609.60	kg/m3	334.35	Measurements and correlations of density, viscosity, and vapour-liquid equilibrium for fluoro alcohols
ρl	1603.80	kg/m3	338.25	Measurements and correlations of density, viscosity, and vapour-liquid equilibrium for fluoro alcohols
ρl	1596.00	kg/m3	342.25	Measurements and correlations of density, viscosity, and vapour-liquid equilibrium for fluoro alcohols

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[184.95; 357.46]	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			-2.27390e+01
Coefficient B			9.90500e-01
Coefficient C			-9.28400e-04
Coefficient D			3.18100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	184.95	J/mol×K	273.00	Calculated Property
Cp,gas	225.57	J/mol×K	353.78	Calculated Property
Cp,gas	258.47	J/mol×K	434.56	Calculated Property
Cp,gas	284.68	J/mol×K	515.33	Calculated Property
Cp,gas	305.19	J/mol×K	596.11	Calculated Property
Cp,gas	321.00	J/mol×K	676.89	Calculated Property
Cp,gas	333.13	J/mol×K	757.67	Calculated Property
Cp,gas	342.58	J/mol×K	838.44	Calculated Property
Cp,gas	350.35	J/mol×K	919.22	Calculated Property
Cp,gas	357.46	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 1-Pentanol, 2,2,3,3,4,4,5,5-octafluoro-.

Mixtures

• 1-Pentanol, 2,2,3,3,4,4,5,5-octafluoro- + Methyl Alcohol + Water
• 1-Pentanol, 2,2,3,3,4,4,5,5-octafluoro- + Methyl Alcohol
• 1-Pentanol, 2,2,3,3,4,4,5,5-octafluoro- + 2,2,3,3-Tetrafluoro-1-propanol
• Ethanol + 1-Pentanol, 2,2,3,3,4,4,5,5-octafluoro- + Water
• 1-Pentanol, 2,2,3,3,4,4,5,5-octafluoro- + Water

Sources

• IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 11 ChEDL chemicals 1.5.2, from Ambrose, D.; Tsonopoulos, C.; Nikitin, E. D. Vapor-Liquid Critical Properties of Elements and Compounds. 11. Organic Compounds Containing B + O; Halogens + N, + O, + O + S, + S, + Si; N + O; and O + S, + Si. J. Chem. Eng. Data 2009, 54, 669-689.
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Measurement and correlation of liquid-liquid equilibrium for the ternary system 2,2,3,3,4,4,5,5-octafluoro-1-pentanol + methanol + water at (298.15, 308.15, and 318.15) K
• Measurements and correlations of density, viscosity, and vapour-liquid equilibrium for fluoro alcohols
• Liquid-Liquid Equilibrium for the Ternary System 2,2,3,3,4,4,5,5-Octafluoro-1-Pentanol + Ethanol + Water at (298.15, 308.15, and 318.15) K
• Isobaric Vapor Liquid Equilibrium for Binary Systems of 2,2,3,3-Tetrafluoro-1-propanol + 2,2,3,3,4,4,5,5-Octafluoro-1-pentanol at 53.3, 66.7, 80.0 kPa
• Joback Method
• McGowan Method
• NIST Webbook

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