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

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).
¹: Molecular weight from the IUPAC atomic weights tables.

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Physical Properties

Property	Value	Unit	Source
Δ_cH°_liquid	-1353.40 ± 0.67	kJ/mol	NIST
Δ_fH°_liquid	-1114.90 ± 0.79	kJ/mol	NIST
Δ_fusH°	9.00	kJ/mol	Joback Calculated Property
Δ_vapH°	[53.58; 53.60]	kJ/mol
Δ_vapH°	53.58	kJ/mol	NIST
Δ_vapH°	53.60	kJ/mol	NIST
IE	11.58	eV	NIST
logP_oct/wat	0.879		Crippen Calculated Property
McVol	66.080	ml/mol	McGowan Calculated Property
P_c	4072.51	kPa	Joback Calculated Property
I_np	[636.00; 651.00]
I_np	651.00		NIST
I_np	640.00		NIST
I_np	636.00		NIST
T_boil	[381.95; 382.70]	K
T_boil	382.15	K	Separation of azeotrope (2,2,3,3-tetrafluoro-1-propanol + water): Isobaric vapour-liquid phase equilibrium measurements and azeotropic distillation
T_boil	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
T_boil	382.50 ± 0.50	K	NIST
T_boil	382.70	K	NIST
T_c	524.77	K	Relay (1.0) Calculated Property
T_fus	277.82	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, 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
C_p,gas	[135.47; 167.20]	J/mol×K	[353.83; 496.17]

C_p,gas	135.47	J/mol×K	353.83	Joback Calculated Property
C_p,gas	141.47	J/mol×K	377.55	Joback Calculated Property
C_p,gas	147.17	J/mol×K	401.28	Joback Calculated Property
C_p,gas	152.59	J/mol×K	425.00	Joback Calculated Property
C_p,gas	157.72	J/mol×K	448.72	Joback Calculated Property
C_p,gas	162.59	J/mol×K	472.45	Joback Calculated Property
C_p,gas	167.20	J/mol×K	496.17	Joback Calculated Property
Δ_vapH	[47.90; 50.30]	kJ/mol	[315.50; 341.50]
Δ_vapH	50.30	kJ/mol	315.50	NIST
Δ_vapH	47.90	kJ/mol	341.50	NIST
P_vap	[53.30; 101.30]	kPa	[365.01; 382.15]

P_vap	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
P_vap	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
P_vap	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
P_vap	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
P_vap	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
ρ_l	[1401.00; 1493.20]	kg/m³	[293.15; 342.25]

ρ_l	1493.20	kg/m³	293.15	Measurements and correlations of density, viscosity, and vapour-liquid equilibrium for fluoro alcohols
ρ_l	1482.80	kg/m³	301.55	Measurements and correlations of density, viscosity, and vapour-liquid equilibrium for fluoro alcohols
ρ_l	1474.20	kg/m³	306.15	Measurements and correlations of density, viscosity, and vapour-liquid equilibrium for fluoro alcohols
ρ_l	1468.60	kg/m³	309.05	Measurements and correlations of density, viscosity, and vapour-liquid equilibrium for fluoro alcohols
ρ_l	1460.20	kg/m³	312.65	Measurements and correlations of density, viscosity, and vapour-liquid equilibrium for fluoro alcohols
ρ_l	1454.20	kg/m³	316.15	Measurements and correlations of density, viscosity, and vapour-liquid equilibrium for fluoro alcohols
ρ_l	1447.60	kg/m³	319.35	Measurements and correlations of density, viscosity, and vapour-liquid equilibrium for fluoro alcohols
ρ_l	1441.80	kg/m³	323.25	Measurements and correlations of density, viscosity, and vapour-liquid equilibrium for fluoro alcohols
ρ_l	1434.00	kg/m³	327.05	Measurements and correlations of density, viscosity, and vapour-liquid equilibrium for fluoro alcohols
ρ_l	1427.40	kg/m³	330.65	Measurements and correlations of density, viscosity, and vapour-liquid equilibrium for fluoro alcohols
ρ_l	1416.80	kg/m³	334.35	Measurements and correlations of density, viscosity, and vapour-liquid equilibrium for fluoro alcohols
ρ_l	1409.00	kg/m³	338.25	Measurements and correlations of density, viscosity, and vapour-liquid equilibrium for fluoro alcohols
ρ_l	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
P_vap	[1.33; 202.63]	kPa	[295.10; 404.02]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
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

P_vap	1.33	kPa	295.10	Calculated Property
P_vap	2.98	kPa	307.20	Calculated Property
P_vap	6.12	kPa	319.30	Calculated Property
P_vap	11.72	kPa	331.41	Calculated Property
P_vap	21.09	kPa	343.51	Calculated Property
P_vap	35.98	kPa	355.61	Calculated Property
P_vap	58.62	kPa	367.71	Calculated Property
P_vap	91.72	kPa	379.82	Calculated Property
P_vap	138.50	kPa	391.92	Calculated Property
P_vap	202.63	kPa	404.02	Calculated Property

Similar Compounds

2,2,3,3-Tetrafluoropropyl-1',1',2',3',3'-hexafluoropropyl ether.

1-Pentanol, 2,2,3,3,4,4,5,5-octafluoro-.

2-Propenoic acid, 2-methyl-, 2,2,3,3-tetrafluoropropyl ester.

1H,1H,17H-Dotriacontafluoro-1-heptadecanol.

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

Mixtures

Sources

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