Chemical Properties of Ethanol, 2,2,2-trifluoro- (CAS 75-89-8)

InChI

InChI=1S/C2H3F3O/c3-2(4,5)1-6/h6H,1H2

InChI Key

RHQDFWAXVIIEBN-UHFFFAOYSA-N

Formula

C2H3F3O

SMILES

OCC(F)(F)F

Molecular Weight¹

100.04

CAS

75-89-8

Other Names

• .beta.,.beta.,.beta.-trifluoroethyl alcohol
• 1,1H-perfluoroethanol
• 2,2,2-Trifluoroethanol
• 2,2,2-Trifluoroethyl alcohol
• CF3CH2OH
• Fluorinol 85
• NSC 451
• Perfluoro-1,1-dihydroethanol
• TFE
• «beta»,«beta»,«beta»-Trifluoroethyl alcohol
• «beta»,«beta»,«beta»-Trifluoroethyl alcohol

• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• ρ_l : Liquid Density (kg/m³).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_boil : Boiling point at given pressure (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.

Contents

1. Physical Properties
2. Temperature Dependent Properties
3. Pressure Dependent Properties
4. Datasets
5. Correlations
6. Similar Compounds
7. Mixtures
8. Sources

Physical Properties

Property	Value	Unit	Source
PAff	700.20	kJ/mol	NIST
BasG	669.90	kJ/mol	NIST
ΔcH°liquid	-821.53 ± 0.79	kJ/mol	NIST
ΔfG°	-752.45	kJ/mol	Joback Calculated Property
ΔfH°gas	-833.92	kJ/mol	Joback Calculated Property
ΔfH°liquid	-932.57 ± 0.79	kJ/mol	NIST
ΔfusH°	6.85	kJ/mol	Joback Calculated Property
ΔvapH°	43.97	kJ/mol	NIST
IE	[11.49; 13.80]	eV
IE	11.49	eV	NIST
IE	13.80	eV	NIST
IE	11.70	eV	NIST
log10WS	-0.59		Crippen Calculated Property
logPoct/wat	0.541		Crippen Calculated Property
McVol	50.220	ml/mol	McGowan Calculated Property
Pc	4825.00 ± 15.00	kPa	NIST
Inp	[437.00; 480.00]
Inp	437.00		NIST
Inp	441.00		NIST
Inp	441.00		NIST
Inp	Outlier 480.00		NIST
Inp	441.00		NIST
Inp	437.00		NIST
Tboil	[346.90; 351.70]	K
Tboil	347.15	K	Vapor P...
Tboil	Outlier 351.70	K	NIST
Tboil	347.50 ± 0.50	K	NIST
Tboil	347.20	K	NIST
Tboil	347.09 ± 0.25	K	NIST
Tboil	346.90 ± 0.20	K	NIST
Tboil	347.00 ± 3.00	K	NIST
Tc	498.57 ± 0.10	K	NIST
Tfus	229.65 ± 0.30	K	NIST
Vc	0.209	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[96.28; 121.35]	J/mol×K	[331.92; 477.82]
Cp,gas	96.28	J/mol×K	331.92	Joback Calculated Property
Cp,gas	101.07	J/mol×K	356.24	Joback Calculated Property
Cp,gas	105.60	J/mol×K	380.55	Joback Calculated Property
Cp,gas	109.89	J/mol×K	404.87	Joback Calculated Property
Cp,gas	113.93	J/mol×K	429.19	Joback Calculated Property
Cp,gas	117.75	J/mol×K	453.50	Joback Calculated Property
Cp,gas	121.35	J/mol×K	477.82	Joback Calculated Property
η	[0.0012085; 0.0026935]	Pa×s	[283.15; 313.15]
η	0.0026931	Pa×s	283.15	Excess ...
η	0.0026935	Pa×s	283.15	Excess ...
η	0.0017546	Pa×s	298.15	Excess ...
η	0.0017548	Pa×s	298.15	Excess ...
η	0.0012085	Pa×s	313.15	Excess ...
η	0.0012085	Pa×s	313.15	Excess ...
ΔvapH	[41.50; 45.90]	kJ/mol	[285.50; 313.00]
ΔvapH	44.50	kJ/mol	285.50	NIST
ΔvapH	45.90	kJ/mol	289.00	NIST
ΔvapH	44.00	kJ/mol	313.00	NIST
ΔvapH	41.50	kJ/mol	313.00	NIST
Pvap	[3.96; 100.80]	kPa	[283.15; 346.65]
Pvap	3.96	kPa	283.15	Vapor P...
Pvap	7.25	kPa	293.15	Vapor P...
Pvap	12.82	kPa	303.15	Vapor P...
Pvap	21.83	kPa	313.15	Vapor P...
Pvap	36.10	kPa	323.15	Vapor P...
Pvap	57.08	kPa	333.15	Vapor P...
Pvap	87.31	kPa	343.15	Vapor P...
Pvap	100.80	kPa	346.65	Vapor P...
ρl	[1317.80; 1416.60]	kg/m3	[278.15; 333.15]
ρl	1416.60	kg/m3	278.15	Density...
ρl	1408.50	kg/m3	283.15	Density...
ρl	1408.20	kg/m3	283.15	Calorim...
ρl	1400.20	kg/m3	288.15	Density...
ρl	1389.70	kg/m3	293.14	Calorim...
ρl	1391.10	kg/m3	293.15	Calorim...
ρl	1391.80	kg/m3	293.15	Density...
ρl	1383.41	kg/m3	298.15	Thermod...
ρl	1382.40	kg/m3	298.15	Phase d...
ρl	1383.40	kg/m3	298.15	Density...
ρl	1382.40	kg/m3	298.15	Liquid-...
ρl	1382.40	kg/m3	298.15	Liquid-...
ρl	1382.40	kg/m3	298.15	Volumet...
ρl	1382.40	kg/m3	298.15	Effect ...
ρl	1374.90	kg/m3	303.15	Density...
ρl	1373.80	kg/m3	303.15	Calorim...
ρl	1372.40	kg/m3	303.19	Calorim...
ρl	1366.20	kg/m3	308.15	Density...
ρl	1357.40	kg/m3	313.15	Density...
ρl	1356.10	kg/m3	313.15	Calorim...
ρl	1354.80	kg/m3	313.15	Calorim...
ρl	1348.50	kg/m3	318.15	Density...
ρl	1338.00	kg/m3	323.15	Calorim...
ρl	1336.60	kg/m3	323.15	Calorim...
ρl	1339.40	kg/m3	323.15	Density...
ρl	1330.10	kg/m3	328.15	Density...
ρl	1319.10	kg/m3	333.15	Calorim...
ρl	1317.80	kg/m3	333.15	Calorim...
ρl	1320.70	kg/m3	333.15	Density...

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
Tboil	[347.40; 347.40]	K	[102.00; 102.00]
Tboil	347.40	K	102.00	Experim...
Tboil	347.40	K	102.00	Study o...

Datasets

1. Viscosity, Pa*s (1)
2. Mass density, kg/m3 (1)

Viscosity, Pa*s

Fixed		Measured
Temperature, K - Liquid	Pressure, kPa - Liquid	Viscosity, Pa*s - Liquid
263.15	100.00	0.0055
263.15	100.00	0.0055
263.15	9900.00	0.0061
263.15	10000.00	0.0061
263.15	24500.00	0.0072
263.15	24600.00	0.0072
263.15	50500.00	0.0092
263.15	50600.00	0.0092
263.15	75500.00	0.0115
263.15	75500.00	0.0115
263.15	100200.00	0.0143
263.15	101000.00	0.0144
263.15	131600.00	0.0184
263.15	132200.00	0.0185
268.15	100.00	0.0045
268.15	100.00	0.0045
322.14	10500.00	0.0011
322.14	10500.00	0.0011
322.14	25500.00	0.0013
322.14	25500.00	0.0013
322.14	50500.00	0.0016
322.14	50500.00	0.0016
322.14	75000.00	0.0018
322.14	75200.00	0.0018
322.14	100300.00	0.0021
322.14	100300.00	0.0021
323.15	100.00	0.0010
323.15	100.00	0.0010
323.15	100.00	0.0010
323.15	100.00	0.0010
323.15	100.00	0.0010
323.15	100.00	0.0010
273.15	100.00	0.0038
273.15	100.00	0.0038
273.15	100.00	0.0038
273.15	100.00	0.0038
273.15	100.00	0.0038
273.15	100.00	0.0038
273.15	10400.00	0.0042
273.15	10500.00	0.0042
273.15	25500.00	0.0049
273.15	25500.00	0.0049
273.15	50500.00	0.0062
273.15	50500.00	0.0062
273.15	75000.00	0.0076
273.15	75500.00	0.0076
273.15	99800.00	0.0094
273.15	100300.00	0.0094
273.15	125600.00	0.0114
273.15	125600.00	0.0115
273.15	125700.00	0.0114
273.15	150300.00	0.0137
273.15	150700.00	0.0138
273.15	176200.00	0.0165
273.15	176400.00	0.0166
273.15	201100.00	0.0196
273.15	201100.00	0.0195
273.15	233500.00	0.0243
273.15	233700.00	0.0243
323.15	100.00	0.0010
323.15	100.00	0.0010
323.15	100.00	0.0010
323.15	100.00	0.0010
323.15	10000.00	0.0011
323.15	10100.00	0.0011
323.15	25300.00	0.0012
323.15	25400.00	0.0012
323.15	49500.00	0.0015
323.15	49700.00	0.0015
323.15	74800.00	0.0018
323.15	75000.00	0.0018
323.15	99900.00	0.0021
323.15	100000.00	0.0021
323.15	100400.00	0.0021
323.15	100400.00	0.0021
323.15	125000.00	0.0024
323.15	125400.00	0.0024
323.15	150100.00	0.0027
323.15	150500.00	0.0027
323.15	176000.00	0.0031
323.15	176000.00	0.0031
323.15	200300.00	0.0037
323.15	200800.00	0.0037
323.15	210100.00	0.0038
323.15	210100.00	0.0038
323.15	225200.00	0.0041
278.15	100.00	0.0033
278.15	100.00	0.0033
283.15	100.00	0.0027
283.15	100.00	0.0027
288.15	100.00	0.0024
288.15	100.00	0.0024
293.15	100.00	0.0021
293.15	100.00	0.0020
293.15	100.00	0.0021
293.15	100.00	0.0021
298.15	100.00	0.0018
298.15	100.00	0.0018
298.15	100.00	0.0018
298.15	100.00	0.0018
298.15	100.00	0.0018
298.15	100.00	0.0018
298.15	100.00	0.0018
298.15	100.00	0.0018
298.15	10200.00	0.0020
298.15	10200.00	0.0020
298.15	25400.00	0.0023
298.15	25400.00	0.0023
298.15	49900.00	0.0028
298.15	50200.00	0.0028
298.15	74900.00	0.0033
298.15	75100.00	0.0033
298.15	100400.00	0.0039
323.15	225300.00	0.0041
323.15	226700.00	0.0040
323.15	227900.00	0.0041
323.15	248900.00	0.0046
323.15	249400.00	0.0046
323.15	275300.00	0.0052
323.15	275600.00	0.0052
323.15	300600.00	0.0058
323.15	301200.00	0.0059
323.15	325600.00	0.0065
323.15	326200.00	0.0066
323.15	347900.00	0.0072
323.15	349200.00	0.0072
328.15	100.00	0.0009
328.15	100.00	0.0009
333.15	100.00	0.0008
333.15	100.00	0.0008
338.15	100.00	0.0007
338.15	100.00	0.0007
343.15	100.00	0.0007
343.15	100.00	0.0007
343.15	100.00	0.0007
343.15	100.00	0.0007
343.15	100.00	0.0007
343.15	100.00	0.0007
343.15	10500.00	0.0008
343.15	10500.00	0.0007
298.15	100600.00	0.0039
298.15	125200.00	0.0046
298.15	125400.00	0.0046
298.15	150100.00	0.0053
298.15	150100.00	0.0053
298.15	175000.00	0.0062
298.15	175200.00	0.0062
298.15	197500.00	0.0070
298.15	197800.00	0.0070
298.15	200700.00	0.0072
298.15	201700.00	0.0073
298.15	224400.00	0.0083
298.15	226100.00	0.0083
298.15	256900.00	0.0099
298.15	258400.00	0.0100
298.15	276700.00	0.0110
298.15	277800.00	0.0110
298.15	300600.00	0.0123
298.15	301600.00	0.0124
298.15	325400.00	0.0140
298.15	326500.00	0.0141
298.15	348800.00	0.0158
298.15	351100.00	0.0159
303.15	100.00	0.0016
303.15	100.00	0.0016
308.15	100.00	0.0014
308.15	100.00	0.0014
343.15	25500.00	0.0008
343.15	50000.00	0.0010
343.15	50000.00	0.0010
343.15	76400.00	0.0012
343.15	76400.00	0.0012
343.15	99900.00	0.0014
343.15	100500.00	0.0014
343.15	100700.00	0.0014
343.15	100700.00	0.0014
343.15	100900.00	0.0014
343.15	125800.00	0.0017
343.15	126100.00	0.0017
343.15	150000.00	0.0019
343.15	150200.00	0.0019
343.15	175300.00	0.0021
343.15	175600.00	0.0021
343.15	200400.00	0.0024
343.15	200700.00	0.0024
343.15	225200.00	0.0026
343.15	225400.00	0.0027
343.15	249500.00	0.0029
343.15	249800.00	0.0029
343.15	276600.00	0.0033
343.15	277100.00	0.0033
343.15	300300.00	0.0036
343.15	301200.00	0.0036
343.15	325100.00	0.0039
313.15	100.00	0.0012
313.15	100.00	0.0012
318.15	100.00	0.0011
318.15	100.00	0.0011
343.15	325600.00	0.0039
343.15	350100.00	0.0043
343.15	352100.00	0.0044
Reference

Mass density, kg/m3

Fixed		Measured
Pressure, kPa - Liquid	Temperature, K - Liquid	Mass density, kg/m3 - Liquid
100.00	288.15	1400.0
1000.00	288.15	1401.0
5000.00	288.15	1407.0
10000.00	288.15	1415.0
15000.00	288.15	1422.0
20000.00	288.15	1428.0
25000.00	288.15	1435.0
30000.00	288.15	1441.0
35000.00	288.15	1447.0
40000.00	288.15	1453.0
100.00	293.15	1391.0
1000.00	293.15	1393.0
5000.00	293.15	1399.0
10000.00	293.15	1407.0
15000.00	293.15	1414.0
20000.00	293.15	1421.0
25000.00	293.15	1427.0
30000.00	293.15	1434.0
35000.00	293.15	1440.0
40000.00	293.15	1446.0
100.00	303.15	1374.0
1000.00	303.15	1375.0
5000.00	303.15	1382.0
10000.00	303.15	1390.0
15000.00	303.15	1398.0
20000.00	303.15	1405.0
25000.00	303.15	1412.0
30000.00	303.15	1419.0
35000.00	303.15	1425.0
40000.00	303.15	1431.0
100.00	313.15	1356.0
1000.00	313.15	1358.0
5000.00	313.15	1365.0
10000.00	313.15	1374.0
15000.00	313.15	1382.0
20000.00	313.15	1390.0
25000.00	313.15	1397.0
30000.00	313.15	1404.0
35000.00	313.15	1411.0
40000.00	313.15	1417.0
100.00	323.15	1338.0
1000.00	323.15	1340.0
5000.00	323.15	1348.0
10000.00	323.15	1357.0
15000.00	323.15	1365.0
20000.00	323.15	1374.0
25000.00	323.15	1381.0
30000.00	323.15	1389.0
35000.00	323.15	1396.0
40000.00	323.15	1402.0
100.00	333.15	1319.0
1000.00	333.15	1321.0
5000.00	333.15	1330.0
10000.00	333.15	1339.0
15000.00	333.15	1349.0
20000.00	333.15	1357.0
25000.00	333.15	1365.0
30000.00	333.15	1373.0
35000.00	333.15	1380.0
40000.00	333.15	1388.0
Reference

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[268.80; 365.79]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.56334e+01
Coefficient B			-3.05802e+03
Coefficient C			-6.95280e+01
Temperature range, min.			268.80
Temperature range, max.			365.79
Pvap	1.33	kPa	268.80	Calculated Property
Pvap	2.93	kPa	279.58	Calculated Property
Pvap	5.96	kPa	290.35	Calculated Property
Pvap	11.35	kPa	301.13	Calculated Property
Pvap	20.42	kPa	311.91	Calculated Property
Pvap	34.95	kPa	322.68	Calculated Property
Pvap	57.23	kPa	333.46	Calculated Property
Pvap	90.16	kPa	344.24	Calculated Property
Pvap	137.24	kPa	355.01	Calculated Property
Pvap	202.63	kPa	365.79	Calculated Property

Similar Compounds

Find more compounds similar to Ethanol, 2,2,2-trifluoro-.

Mixtures

• Ethanol, 2,2,2-trifluoro- + Diisopropyl ether
• Ethanol, 2,2,2-trifluoro- + Diisopropyl ether + Ethanol
• Ethanol, 2,2,2-trifluoro- + Benzene, (trifluoromethyl)- + Ethanol
• n-Hexane + Ethanol, 2,2,2-trifluoro- + Methyl Alcohol
• Ethanol, 2,2,2-trifluoro- + Water
• Ethanol, 2,2,2-trifluoro- + Methyl Alcohol
• Ethanol, 2,2,2-trifluoro- + Ethanol
• 1-Propanol + Ethanol, 2,2,2-trifluoro-
• Ethanol, 2,2,2-trifluoro- + Quinoline
• Ethanol, 2,2,2-trifluoro- + Tetrahydropyran
• Ethanol, 2,2,2-trifluoro- + Tetrahydrofuran
• Benzene + Ethanol, 2,2,2-trifluoro-
• Ethanol, 2,2,2-trifluoro- + Toluene
• Ethanol, 2,2,2-trifluoro- + Trichloromethane
• Ethanol, 2,2,2-trifluoro- + Benzene, (trifluoromethyl)-
• Ethanol, 2,2,2-trifluoro- + Ethanol + Cyclohexane
• Ethanol, 2,2,2-trifluoro- + Cyclohexane
• Ethanol, 2,2,2-trifluoro- + Cyclohexane + Methyl Alcohol
• Ethanol, 2,2,2-trifluoro- + Hydrogen + Water
• Ethanol, 2,2,2-trifluoro- + Nitrogen + Water

Find more mixtures with Ethanol, 2,2,2-trifluoro-.

Sources

• Crippen Method
• Crippen Method
• Solubilities of several non-polar gases in mixtures water + 2,2,2-trifluoroethanol at 298.15 K and 101.33 kPa
• Fluorinated surfactants in solution: Diffusion coefficients of fluorinated alcohols in water
• Volumetric properties of binary and ternary mixtures of diisopropyl ether, a,a,a-trifluorotoluene, 2,2,2-trifluoroethanol, and ethanol at a temperature 298.15 K and pressure 101 kPa
• Phase diagrams of (hexane + methanol + 2,2,2-trifluoroethanol) at three temperatures: Measurement and correlation
• A thermodynamic study on solubility and liquid-liquid phase behaviour for 2,2,2-trifluoroethanol + cyclohexane + 1-butanol at three temperatures and pressure 101.3 kPa
• Density and viscosity of three (2,2,2-trifluoroethanol + 1-butyl-3-methylimidazolium) ionic liquid binary systems
• Experimental densities of 2,2,2-trifluoroethanol with 1-butyl-3-methylimidazolium hexafluorophosphate at high pressures and modelling with PC-SAFT
• Thermodynamic properties of binary mixtures of 2.2.2-Trifluoroethanol with Water or Alkanols at T=298.15 K
• H-Bonding in 2,2,2-Trifluoroethanol: Application of the Stokes-Einstein-Sutherland Equation to Self-Diffusion and Viscosity at High Pressures
• Vapor Pressures and Vapor-Liquid Equilibria of the 2,2,2-Trifluoroethanol + Quinoline System
• Excess Enthalpy, Excess Volume, Viscosity Deviation, and Speed of Sound Deviation for the Mixture Tetrahydropyran + 2,2,2-Trifluoroethanol at (283.15, 298.15, and 313.15) K
• Excess Enthalpy, Excess Volume, Viscosity Deviation, and Speed of Sound Deviation for the Mixture Tetrahydrofuran + 2,2,2-Trifluoroethanol at (283.15, 298.15, and 313.15) K
• High-Pressure Vapor-Liquid Equilbria of Some Carbon Dioxide + Organic Binary Systems
• Calorimetric and Volumetric Study on Binary Mixtures 2,2,2-Trifluoroethanol + (1-Butyl-3-methylimidazolium Tetrafluoroborate or 1-Ethyl-3-methylimidazolium Tetrafluoroborate)
• Activity Coefficients at Infinite Dilution of Organic Compounds in Four New Imidazolium-Based Ionic Liquids
• Partition Coefficients of Organic Compounds in Four New Tetraalkylammonium Bis(trifluoromethylsulfonyl)imide Ionic Liquids Using Inverse Gas Chromatography
• Evaluation of the Performance of Trigeminal Tricationic Ionic Liquids for Separation Problems
• Determination of Gas Concentrations in Liquids by Nuclear Magnetic Resonance: Hydrogen in Organic Solvents
• Diffusion Coefficients of Fluorinated Surfactants in Water: Experimental Results and Prediction by Computer Simulation
• Experimental Isobaric Vapor-Liquid Equilibria of Binary Mixtures of 2,2,2-Trifluoroethanol with Benzene or Toluene
• Study of Vapor-Liquid Equilibrium for Binary Mixtures (Chloroform + 2,2,2-Trifluoroethanol) and (r,r,r-Trifluorotoluene + 2,2,2-Trifluoroethanol) at Pressure 102 kPa
• Liquid-Liquid Equilibrium for 2,2,2-Trifluoroethanol + Ethanol + Cyclohexane from (288.15 to 308.15) K
• Liquid-Liquid Equilibrium of (Cyclohexane + 2,2,2-Trifluoroethanol) and (Cyclohexane + Methanol) from (278.15 to 318.15) K
• Effect of Temperature on Phase Equilibrium of the Mixed-Solvent System of (2,2,2-Trifluoroethanol + Methanol + Cyclohexane)
• Activity Coefficients at Infinite Dilution of Organic Compounds in 1-Butyl-3-methylimidazolium Tetrafluoroborate Using Inverse Gas Chromatography
• Partition Coefficients of Organic Compounds in New Imidazolium and Tetralkylammonium Based Ionic Liquids Using Inverse Gas Chromatography
• Vapor Pressure Measurement for the Water + 1,3-Dimethylimidazolium Chloride System and 2,2,2-Trifluoroethanol + 1-Ethyl-3-methylimidazolium Tetrafluoroborate System
• Study of Ether-, Alcohol-, or Cyano-Functionalized Ionic Liquids Using Inverse Gas Chromatography
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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