Chemical Properties of 2,2,3,3-Tetrafluoro-1-propanol (CAS 76-37-9)

InChI

InChI=1S/C3H4F4O/c4-2(5)3(6,7)1-8/h2,8H,1H2

InChI Key

NBUKAOOFKZFCGD-UHFFFAOYSA-N

Formula

C3H4F4O

SMILES

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

Molecular Weight¹

132.06

CAS

76-37-9

Other Names

• 1,1,2,2-tetrafluoro-3-hydroxypropane
• 1,1,3-trihydroperfluoro-1-propanol
• 1,1,3H-perfluoropropanol
• 1-Propanol, 2,2,3,3-tetrafluoro-
• 1-hydroxy-2,2,3,3-tetrafluoropropane
• 1H,1H,3H-Tetrafluoro-1-propanol
• 2,2,3,3-Tetrafluoro-propanol-1
• 2,2,3,3-Tetrafluoropropanol
• 2,2,3,3-tetrafluoropropan-1-ol
• 2,2,3,3-tetrafluoropropanol-1
• 2,2,3,3-tetrafluoropropyl alcohol

• ω : Acentric Factor.
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fH°_liquid : Liquid phase 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).
• 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).
• T_fus : Normal melting (fusion) point (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
ω	0.5383		PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
ΔcH°liquid	-1353.40 ± 0.67	kJ/mol	NIST
ΔfH°liquid	-1114.90 ± 0.79	kJ/mol	NIST
ΔfusH°	9.00	kJ/mol	Joback Calculated Property
ΔvapH°	[53.58; 53.60]	kJ/mol
ΔvapH°	53.58	kJ/mol	NIST
ΔvapH°	53.60	kJ/mol	NIST
IE	11.58	eV	NIST
logPoct/wat	0.879		Crippen Calculated Property
McVol	66.080	ml/mol	McGowan Calculated Property
Pc	[4630.00; 4850.00]	kPa
Pc	4630.00	kPa	IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 11 Compiled value
Pc	4850.00	kPa	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Inp	[636.00; 651.00]
Inp	651.00		NIST
Inp	640.00		NIST
Inp	636.00		NIST
Tboil	[381.95; 382.70]	K
Tboil	382.15	K	Separation of azeotrope (2,2,3,3-tetrafluoro-1-propanol + water): Isobaric vapour-liquid phase equilibrium measurements and azeotropic distillation
Tboil	381.95	K	Separation of azeotropic mixture (2, 2, 3, 3-Tetrafluoro-1-propanol + water) by extractive distillation: Entrainers selection and vapour-liquid equilibrium measurements
Tboil	382.50 ± 0.50	K	NIST
Tboil	382.70	K	NIST
Tc	[553.60; 557.20]	K
Tc	553.60	K	IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 11 Compiled value
Tc	557.20	K	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Tfus	258.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Vc	[0.266; 0.267]	m3/kmol
Vc	0.266	m3/kmol	IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 11 Compiled value
Vc	0.267	m3/kmol	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Zc	0.2680000		IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 11 Compiled value

Cheméo can also estimate Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, 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
ΔvapH	[47.90; 50.30]	kJ/mol	[315.50; 341.50]
ΔvapH	50.30	kJ/mol	315.50	NIST
ΔvapH	47.90	kJ/mol	341.50	NIST
Pvap	[53.30; 101.30]	kPa	[365.01; 382.15]
Pvap	53.30	kPa	365.01	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	370.79	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	375.66	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	101.30	kPa	381.95	Separation of azeotropic mixture (2, 2, 3, 3-Tetrafluoro-1-propanol + water) by extractive distillation: Entrainers selection and vapour-liquid equilibrium measurements
Pvap	101.30	kPa	382.15	Separation of azeotrope (2,2,3,3-tetrafluoro-1-propanol + water): Isobaric vapour-liquid phase equilibrium measurements and azeotropic distillation
n0	1.31960		303.15	Liquid-liquid equilibrium for ternary systems of ethyl acetate/isopropyl acetate + 2,2,3,3-tetrafluoro-1-propanol + water at 298.15, 318.15 K
ρl	[1401.00; 1493.20]	kg/m3	[293.15; 342.25]
ρl	1493.20	kg/m3	293.15	Measurements and correlations of density, viscosity, and vapour-liquid equilibrium for fluoro alcohols
ρl	1482.80	kg/m3	301.55	Measurements and correlations of density, viscosity, and vapour-liquid equilibrium for fluoro alcohols
ρl	1474.20	kg/m3	306.15	Measurements and correlations of density, viscosity, and vapour-liquid equilibrium for fluoro alcohols
ρl	1468.60	kg/m3	309.05	Measurements and correlations of density, viscosity, and vapour-liquid equilibrium for fluoro alcohols
ρl	1460.20	kg/m3	312.65	Measurements and correlations of density, viscosity, and vapour-liquid equilibrium for fluoro alcohols
ρl	1454.20	kg/m3	316.15	Measurements and correlations of density, viscosity, and vapour-liquid equilibrium for fluoro alcohols
ρl	1447.60	kg/m3	319.35	Measurements and correlations of density, viscosity, and vapour-liquid equilibrium for fluoro alcohols
ρl	1441.80	kg/m3	323.25	Measurements and correlations of density, viscosity, and vapour-liquid equilibrium for fluoro alcohols
ρl	1434.00	kg/m3	327.05	Measurements and correlations of density, viscosity, and vapour-liquid equilibrium for fluoro alcohols
ρl	1427.40	kg/m3	330.65	Measurements and correlations of density, viscosity, and vapour-liquid equilibrium for fluoro alcohols
ρl	1416.80	kg/m3	334.35	Measurements and correlations of density, viscosity, and vapour-liquid equilibrium for fluoro alcohols
ρl	1409.00	kg/m3	338.25	Measurements and correlations of density, viscosity, and vapour-liquid equilibrium for fluoro alcohols
ρl	1401.00	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	[112.64; 223.06]	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			3.66100e+00
Coefficient B			5.01700e-01
Coefficient C			-4.10400e-04
Coefficient D			1.28100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	112.64	J/mol×K	273.00	Calculated Property
Cp,gas	135.46	J/mol×K	353.78	Calculated Property
Cp,gas	154.69	J/mol×K	434.56	Calculated Property
Cp,gas	170.75	J/mol×K	515.33	Calculated Property
Cp,gas	184.03	J/mol×K	596.11	Calculated Property
Cp,gas	194.95	J/mol×K	676.89	Calculated Property
Cp,gas	203.91	J/mol×K	757.67	Calculated Property
Cp,gas	211.31	J/mol×K	838.44	Calculated Property
Cp,gas	217.56	J/mol×K	919.22	Calculated Property
Cp,gas	223.06	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[295.10; 404.02]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.48751e+01
Coefficient B			-3.02459e+03
Coefficient C			-8.77620e+01
Temperature range, min.			295.10
Temperature range, max.			404.02
Pvap	1.33	kPa	295.10	Calculated Property
Pvap	2.98	kPa	307.20	Calculated Property
Pvap	6.12	kPa	319.30	Calculated Property
Pvap	11.72	kPa	331.41	Calculated Property
Pvap	21.09	kPa	343.51	Calculated Property
Pvap	35.98	kPa	355.61	Calculated Property
Pvap	58.62	kPa	367.71	Calculated Property
Pvap	91.72	kPa	379.82	Calculated Property
Pvap	138.50	kPa	391.92	Calculated Property
Pvap	202.63	kPa	404.02	Calculated Property

Similar Compounds

Find more compounds similar to 2,2,3,3-Tetrafluoro-1-propanol.

Mixtures

• 2,2,3,3-Tetrafluoro-1-propanol + Formamide, N-methyl-
• Formamide, N,N-dimethyl- + 2,2,3,3-Tetrafluoro-1-propanol
• 2-Pyrrolidinone, 1-methyl- + 2,2,3,3-Tetrafluoro-1-propanol
• Ethyl Acetate + 2,2,3,3-Tetrafluoro-1-propanol + Water
• Isopropyl acetate + 2,2,3,3-Tetrafluoro-1-propanol + Water
• 1-Pentanol, 2,2,3,3,4,4,5,5-octafluoro- + 2,2,3,3-Tetrafluoro-1-propanol
• 2,2,3,3-Tetrafluoro-1-propanol + Water
• Trichloromethane + 2,2,3,3-Tetrafluoro-1-propanol
• p-Xylene + 2,2,3,3-Tetrafluoro-1-propanol
• Diisopropyl ether + 2,2,3,3-Tetrafluoro-1-propanol + Water
• Propane, 2-methoxy-2-methyl- + 2,2,3,3-Tetrafluoro-1-propanol + Water
• Anisole + 2,2,3,3-Tetrafluoro-1-propanol + Water
• 1-Octanol + 2,2,3,3-Tetrafluoro-1-propanol + 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 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.
• PSRK revision IV (2005), critical constants and acentric factors of 1000 components ChEDL chemicals 1.5.2, from Horstmann, S.; Jabłoniec, A.; Krafczyk, J.; Fischer, K.; Gmehling, J. PSRK Group Contribution Equation of State: Comprehensive Revision and Extension IV, Including Critical Constants and α-Function Parameters for 1000 Components. Fluid Phase Equilib. 2005, 227, 157-164.
• Crippen Method
• Crippen Method
• Measurements and correlations of density, viscosity, and vapour-liquid equilibrium for fluoro alcohols
• Liquid-liquid equilibrium for ternary systems of ethyl acetate/isopropyl acetate + 2,2,3,3-tetrafluoro-1-propanol + water at 298.15, 318.15 K
• Separation of azeotrope (2,2,3,3-tetrafluoro-1-propanol + water): Isobaric vapour-liquid phase equilibrium measurements and azeotropic distillation
• Liquid-liquid equilibrium for ternary systems of water + 2,2,3,3-tetrafluoro-1-propanol + isopropyl ether/tert-butyl methyl ether at 298.2, 308.2 K
• Separation of azeotropic mixture (2, 2, 3, 3-Tetrafluoro-1-propanol + water) by extractive distillation: Entrainers selection and vapour-liquid equilibrium measurements
• 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
• Liquid-Liquid Equilibrium for Ternary Systems of Water + 2,2,3,3-Tetrafluoro-1-propanol + Anisole/1-Octanol at 298.2, 308.2, and 318.2 K
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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