Ethane, fluoro-
- Formula: C2H5F
- Molecular weight: 48.0595
- IUPAC Standard InChIKey: UHCBBWUQDAVSMS-UHFFFAOYSA-N
- CAS Registry Number: 353-36-6
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: Ethyl fluoride; Fluoroethane; Monofluoroethane; C2H5F; R 161; UN 2453
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Phase change data
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled as indicated in comments:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 236.0 | K | N/A | PCR Inc., 1990 | BS |
Tboil | 235.5 | K | N/A | Weast and Grasselli, 1989 | BS |
Tboil | 303.9 | K | N/A | Edgell and Parts, 1955 | Uncertainty assigned by TRC = 1.5 K; TRC |
Tboil | 235.45 | K | N/A | Grosse, 1937 | Uncertainty assigned by TRC = 1. K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 375.31 | K | N/A | Booth and Swinehart, 1935 | Uncertainty assigned by TRC = 0.02 K; TRC |
Tc | 375.31 | K | N/A | Parthasarathy, 1935 | Uncertainty assigned by TRC = 0.02 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Pc | 50.2775 | bar | N/A | Booth and Swinehart, 1935 | Uncertainty assigned by TRC = 0.0506 bar; TRC |
Pc | 50.2775 | bar | N/A | Parthasarathy, 1935 | Uncertainty assigned by TRC = 0.0506 bar; TRC |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
20.7 | 236. | I | Kul, DesMarteau, et al., 2001 | Based on data from 200. to 235. K.; AC |
20.2 | 290. | A | Stephenson and Malanowski, 1987 | Based on data from 275. to 353. K.; AC |
20.5 | 265. | A | Stephenson and Malanowski, 1987 | Based on data from 235. to 280. K.; AC |
20.7 | 358. | A | Stephenson and Malanowski, 1987 | Based on data from 343. to 375. K.; AC |
20.8 | 236. | E | Stephenson and Malanowski, 1987 | Based on data from 173. to 251. K. See also Li and Rossini, 1961 and Dykyj, 1970.; AC |
22.0 | 226. | N/A | Stull, 1947 | Based on data from 156. to 241. K.; AC |
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (bar)
T = temperature (K)
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Temperature (K) | A | B | C | Reference | Comment |
---|---|---|---|---|---|
169.54 to 375.30 | 4.34159 | 950.397 | -16.492 | Vidaurri, 1975 | Coefficents calculated by NIST from author's data. |
156. to 241. | 3.72414 | 724.931 | -46.296 | Stull, 1947 | Coefficents calculated by NIST from author's data. |
Reaction thermochemistry data
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: Michael M. Meot-Ner (Mautner) and Sharon G. Lias
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.
Individual Reactions
By formula: Li+ + C2H5F = (Li+ • C2H5F)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 140. | kJ/mol | ICR | Staley and Beauchamp, 1975 | gas phase; switching reaction(Li+)H2O, from graph; Dzidic and Kebarle, 1970 extrapolated |
Henry's Law data
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: Rolf Sander
Henry's Law constant (water solution)
kH(T) = k°H exp(d(ln(kH))/d(1/T) ((1/T) - 1/(298.15 K)))
k°H = Henry's law constant for solubility in water at 298.15 K (mol/(kg*bar))
d(ln(kH))/d(1/T) = Temperature dependence constant (K)
k°H (mol/(kg*bar)) | d(ln(kH))/d(1/T) (K) | Method | Reference | Comment |
---|---|---|---|---|
0.044 | Q | N/A | missing citation give several references for the Henry's law constants but don't assign them to specific species. |
Vibrational and/or electronic energy levels
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: Takehiko Shimanouchi
Symmetry: Cs Symmetry Number σ = 1
Sym. | No | Approximate | Selected Freq. | Infrared | Raman | Comments | ||||
---|---|---|---|---|---|---|---|---|---|---|
Species | type of mode | Value | Rating | Value | Phase | Value | Phase | |||
a' | 1 | CH3 d-str | 3003 | D | 3003 VS | gas | 2986 VS dp | liq. | OV(ν12,ν13) | |
a' | 2 | CH2 s-str | 2941 | D | 2941 | gas | 2941 VS p | liq. | ||
a' | 3 | CH3 s-str | 2915 | D | 2915 S | gas | 2921 M | liq. | ||
a' | 4 | CH2 scis | 1479 | C | 1479 M | gas | 1480 W b dp | liq. | ||
a' | 5 | CH3 d-deform | 1449 | D | 1449 S | gas | 1458 M b dp | liq. | OV(ν14) | |
a' | 6 | CH3 s-deform | 1395 | C | 1395 S | gas | 1393 W p | liq. | ||
a' | 7 | CH2 wag | 1365 | D | 1365 M | liq. | 1365 VW | liq. | ||
a' | 8 | CH3 rock | 1108 | C | 1108 VS | gas | 1103 S p | liq. | ||
a' | 9 | CC str | 1048 | D | 1048 VS | gas | 1041 M b dp | liq. | OV(ν16) | |
a' | 10 | CF str | 880 | B | 880 VS | gas | 873 VS p | liq. | ||
a' | 11 | CCF deform | 415 | C | 415 | gas | 419 W p | liq. | ||
a | 12 | CH2 a-str | 3003 | D | 3003 VS | gas | 2986 VS dp | liq. | OV(ν1,ν13) | |
a | 13 | CH3 d-str | 3003 | D | 3003 VS | gas | 2986 VS dp | liq. | OV1,ν12 | |
a | 14 | CH3 d-deform | 1449 | D | 1449 S | gas | 1458 M b dp | liq. | OV(ν5) | |
a | 15 | CH2 twist | 1277 | C | 1277 | gas | 1276 W b dp | liq. | ||
a | 16 | CH3 rock | 1048 | D | 1048 VS | gas | 1041 M b dp | liq. | OV(ν9) | |
a | 17 | CH2 rock | 810 | C | 810 W | gas | 815 VW | |||
a | 18 | Torsion | 243 | B | 243 | gas | ||||
Source: Shimanouchi, 1972
Notes
VS | Very strong |
S | Strong |
M | Medium |
W | Weak |
VW | Very weak |
b | Broad |
p | Polarized |
dp | Depolarized |
OV | Overlapped by band indicated in parentheses. |
B | 1~3 cm-1 uncertainty |
C | 3~6 cm-1 uncertainty |
D | 6~15 cm-1 uncertainty |
References
Go To: Top, Phase change data, Reaction thermochemistry data, Henry's Law data, Vibrational and/or electronic energy levels, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
PCR Inc., 1990
PCR Inc.,
Research Chemicals Catalog 1990-1991, PCR Inc., Gainesville, FL, 1990, 1. [all data]
Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [all data]
Edgell and Parts, 1955
Edgell, W.F.; Parts, G.A.,
Synthesis of Alkyl and Substituted Alkyl Fluorides from p-Toluenesulfonic Acid Esters. The Preparation of p-Toluenesulfonic Acid Esters of Lower Alcohols,
J. Am. Chem. Soc., 1955, 77, 4899. [all data]
Grosse, 1937
Grosse, A.V.,
Refractive Indices at Low Temperatures,
J. Am. Chem. Soc., 1937, 59, 2739-41. [all data]
Booth and Swinehart, 1935
Booth, H.S.; Swinehart, C.F.,
Critical Constants and Vapor Pressure of Some Gaseous Fluorides of Group IV,
J. Am. Chem. Soc., 1935, 57, 1337. [all data]
Parthasarathy, 1935
Parthasarathy, S.,
Determination of the Ultrasonic Velocity in Fifty-Two Organic Liquids,
Proc. - Indian Acad. Sci., Sect. A, 1935, 2, 497. [all data]
Kul, DesMarteau, et al., 2001
Kul, Ismail; DesMarteau, Darryl D.; Beyerlein, Adolph L.,
Vapor--liquid equilibria for CF3OCF2H/fluorinated ethane and CF3SF5/fluorinated ethane mixtures as potential R22 alternatives,
Fluid Phase Equilibria, 2001, 185, 1-2, 241-253, https://doi.org/10.1016/S0378-3812(01)00474-5
. [all data]
Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw,
Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2
. [all data]
Li and Rossini, 1961
Li, J.C.M.; Rossini, F.D.,
Vapor Pressures and Boiling Points of the l-Fluoroalkanes, l-Chloroalkanes, l-Bromoalkanes, and l-Iodoalkanes, C 1 to C 20 .,
J. Chem. Eng. Data, 1961, 6, 2, 268-270, https://doi.org/10.1021/je60010a025
. [all data]
Dykyj, 1970
Dykyj, J.,
Petrochemica, 1970, 10, 2, 51. [all data]
Stull, 1947
Stull, Daniel R.,
Vapor Pressure of Pure Substances. Organic and Inorganic Compounds,
Ind. Eng. Chem., 1947, 39, 4, 517-540, https://doi.org/10.1021/ie50448a022
. [all data]
Vidaurri, 1975
Vidaurri, F.C.,
Ethyl Fluoride Vapor Pressure,
J. Chem. Eng. Data, 1975, 20, 4, 349-350, https://doi.org/10.1021/je60067a005
. [all data]
Staley and Beauchamp, 1975
Staley, R.H.; Beauchamp, J.L.,
Intrinsic Acid - Base Properties of Molecules. Binding Energies of Li+ to pi - and n - Donor Bases,
J. Am. Chem. Soc., 1975, 97, 20, 5920, https://doi.org/10.1021/ja00853a050
. [all data]
Dzidic and Kebarle, 1970
Dzidic, I.; Kebarle, P.,
Hydration of the Alkali Ions in the Gas Phase. Enthalpies and Entropies of Reactions M+(H2O)n-1 + H2O = M+(H2O)n,
J. Phys. Chem., 1970, 74, 7, 1466, https://doi.org/10.1021/j100702a013
. [all data]
Shimanouchi, 1972
Shimanouchi, T.,
Tables of Molecular Vibrational Frequencies Consolidated Volume I, National Bureau of Standards, 1972, 1-160. [all data]
Notes
Go To: Top, Phase change data, Reaction thermochemistry data, Henry's Law data, Vibrational and/or electronic energy levels, References
- Symbols used in this document:
Pc Critical pressure Tboil Boiling point Tc Critical temperature d(ln(kH))/d(1/T) Temperature dependence parameter for Henry's Law constant k°H Henry's Law constant at 298.15K ΔrH° Enthalpy of reaction at standard conditions ΔvapH Enthalpy of vaporization - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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