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-Tetrafluoropropyl alcohol
2,2,3,3-tetrafluoropropan-1-ol
2,2,3,3-tetrafluoropropanol-1

ω : Acentric Factor.
Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
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_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).
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).
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).
¹: Molecular weight from the IUPAC atomic weights tables.

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Physical Properties

Property	Value	Unit	Source
ω	0.5231		Relay (1.0) Calculated Property
Δ_cH°_liquid	-1353.40 ± 0.67	kJ/mol	NIST
Δ_fG°	-941.28	kJ/mol	Joback Calculated Property
Δ_fH°_gas	-1060.52	kJ/mol	Relay (1.0) Calculated Property
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
log₁₀WS	-0.53		Relay (1.0) Calculated Property
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	529.29	K	Relay (1.0) Calculated Property
T_fus	275.22	K	Relay (1.0) Calculated Property
V_c	0.257	m³/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
C_p,gas	[135.42; 167.15]	J/mol×K	[353.63; 495.89]

C_p,gas	135.42	J/mol×K	353.63	Joback Calculated Property
C_p,gas	141.42	J/mol×K	377.34	Joback Calculated Property
C_p,gas	147.12	J/mol×K	401.05	Joback Calculated Property
C_p,gas	152.54	J/mol×K	424.76	Joback Calculated Property
C_p,gas	157.67	J/mol×K	448.47	Joback Calculated Property
C_p,gas	162.54	J/mol×K	472.18	Joback Calculated Property
C_p,gas	167.15	J/mol×K	495.89	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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