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Ethyl Chloride

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Gas phase 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 as indicated in comments:
DRB - Donald R. Burgess, Jr.
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Deltafgas-26. ± 2.kcal/molAVGN/AAverage of 6 values; Individual data points
Quantity Value Units Method Reference Comment
Deltacgas-337.73 ± 0.14kcal/molCcbFletcher and Pilcher, 1971ALS
Deltacgas-341. ± 2.5kcal/molCcbCasey and Fordham, 1951ALS

Condensed phase 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 as indicated in comments:
DRB - Donald R. Burgess, Jr.
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Deltafliquid-32.7 ± 0.2kcal/molReviewManion, 2002derived from recommended «DELTA»fHgas° and «DELTA»vapH°; DRB
Quantity Value Units Method Reference Comment
liquid44.520cal/mol*KN/AGordon and Giauque, 1948DH

Constant pressure heat capacity of liquid

Cp,liquid (cal/mol*K) Temperature (K) Reference Comment
24.69290.Gordon and Giauque, 1948T = 13 to 287 K.; DH
26.20288.Kurbatov, 1948T = -67 to 15°C; mean Cp, three temperatures.; DH
26.00298.Riedel, 1941T = -48 to 45°C.; DH
26.00298.1Riedel, 1940T = -48 to 46°C.; DH
25.741298.Jenkin and Shorthose, 1924T = -30 to 40°C.; DH

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
DRB - Donald R. Burgess, Jr.
DH - Eugene S. Domalski and Elizabeth D. Hearing
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Tboil289. ± 10.KAVGN/AAverage of 8 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus136.75KN/ATimmermans, 1952Uncertainty assigned by TRC = 0.4 K; TRC
Tfus133.KN/AAwbery, 1941Uncertainty assigned by TRC = 2. K; TRC
Tfus137.KN/ATimmermans and Hennaut-Roland, 1937Uncertainty assigned by TRC = 0.5 K; TRC
Tfus132.3KN/ATimmermans, 1911Uncertainty assigned by TRC = 0.2 K; TRC
Quantity Value Units Method Reference Comment
Ttriple134.82KN/AGordon and Giauque, 1948, 2Uncertainty assigned by TRC = 0.02 K; TRC
Quantity Value Units Method Reference Comment
Tc460.35KN/ABerthoud, 1917Uncertainty assigned by TRC = 0.4 K; TRC
Quantity Value Units Method Reference Comment
Pc51.7200atmN/ABerthoud, 1917Uncertainty assigned by TRC = 0.4000 atm; TRC
Quantity Value Units Method Reference Comment
Deltavap5.88 ± 0.07kcal/molReviewManion, 2002weighted average of several measurements plus a correction for non-ideality; DRB

Enthalpy of vaporization

DeltavapH (kcal/mol) Temperature (K) Method Reference Comment
5.8920285.42N/AGordon and Giauque, 1948P = 101.325 kPa; DH
6.00300.AStephenson and Malanowski, 1987Based on data from 285. - 344. K.; AC
5.83349.AStephenson and Malanowski, 1987Based on data from 334. - 413. K.; AC
5.83418.AStephenson and Malanowski, 1987Based on data from 403. - 460. K.; AC
6.64222.A,EStephenson and Malanowski, 1987Based on data from 207. - 305. K. See also Li and Rossini, 1961 and Dykyj, 1970.; AC
6.19270.N/AGordon and Giauque, 1948Based on data from 218. - 285. K.; AC
5.935294.CYates, 1926ALS

Entropy of vaporization

DeltavapS (cal/mol*K) Temperature (K) Reference Comment
20.64285.42Gordon and Giauque, 1948P; DH

Antoine Equation Parameters

log10(P) = A − (B / (T + C))
    P = vapor pressure (atm)
    T = temperature (K)

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Temperature (K) A B C Reference Comment
217.21 - 285.664.156101052.821-32.078Gordon and Giauque, 1948Coefficents calculated by NIST from author's data.

Enthalpy of fusion

DeltafusH (kcal/mol) Temperature (K) Reference Comment
1.064134.82Gordon and Giauque, 1948DH
1.06134.8Acree, 1991AC

Entropy of fusion

DeltafusS (cal/mol*K) Temperature (K) Reference Comment
7.892134.82Gordon and Giauque, 1948DH

In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:


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 as indicated in comments:
B - John E. Bartmess
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
M - 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

Chlorine anion + Ethyl Chloride = (Chlorine anion bullet Ethyl Chloride)

By formula: Cl- + C2H5Cl = (Cl- bullet C2H5Cl)

Quantity Value Units Method Reference Comment
Deltar12.4 ± 1.0kcal/molTDAsLi, Ross, et al., 1996gas phase; B
Deltar14.5 ± 4.5kcal/molIMRBRiveros, Breda, et al., 1973gas phase; Anchored: Larson and McMahon, 1984; B
Quantity Value Units Method Reference Comment
Deltar6.80 ± 0.20kcal/molTDAsLi, Ross, et al., 1996gas phase; B

Ethyl Chloride = Ethylene + Hydrogen chloride

By formula: C2H5Cl = C2H4 + HCl

Quantity Value Units Method Reference Comment
Deltar22.0kcal/molEqkLevanova, Bushneva, et al., 1979liquid phase; ALS
Deltar17.1kcal/molEqkLevanova, Bushneva, et al., 1979gas phase; ALS
Deltar17.35 ± 0.50kcal/molEqkHowlett, 1955gas phase; ALS
Deltar17.1kcal/molEqkLane, Linnett, et al., 1953gas phase; ALS

(C2H5+ bullet 2Ethyl Chloride) + Ethyl Chloride = (C2H5+ bullet 3Ethyl Chloride)

By formula: (C2H5+ bullet 2C2H5Cl) + C2H5Cl = (C2H5+ bullet 3C2H5Cl)

Quantity Value Units Method Reference Comment
Deltar4.8kcal/molHPMSLuczynski and Wincel, 1974gas phase; Entropy change is questionable; M
Quantity Value Units Method Reference Comment
Deltar7.7cal/mol*KHPMSLuczynski and Wincel, 1974gas phase; Entropy change is questionable; M

(C2H5+ bullet Ethyl Chloride) + Ethyl Chloride = (C2H5+ bullet 2Ethyl Chloride)

By formula: (C2H5+ bullet C2H5Cl) + C2H5Cl = (C2H5+ bullet 2C2H5Cl)

Quantity Value Units Method Reference Comment
Deltar5.2kcal/molHPMSLuczynski and Wincel, 1974gas phase; Entropy change is questionable; M
Quantity Value Units Method Reference Comment
Deltar8.7cal/mol*KHPMSLuczynski and Wincel, 1974gas phase; Entropy change is questionable; M

Bromine anion + Ethyl Chloride = (Bromine anion bullet Ethyl Chloride)

By formula: Br- + C2H5Cl = (Br- bullet C2H5Cl)

Quantity Value Units Method Reference Comment
Deltar11.2 ± 1.0kcal/molTDAsLi, Ross, et al., 1996gas phase; B
Quantity Value Units Method Reference Comment
Deltar5.36 ± 0.20kcal/molTDAsLi, Ross, et al., 1996gas phase; B

Methyl cation + Ethyl Chloride = (Methyl cation bullet Ethyl Chloride)

By formula: CH3+ + C2H5Cl = (CH3+ bullet C2H5Cl)

Quantity Value Units Method Reference Comment
Deltar71.kcal/molPHPMSSharma, Meza de Hojer, et al., 1985gas phase; from Et+ + CH3Cl; Cox and Pilcher, 1970, Rosenstock, Buff, et al., 1982; Sen Sharma and Kebarle, 1978; M

C4H9+ + Ethyl Chloride = (C4H9+ bullet Ethyl Chloride)

By formula: C4H9+ + C2H5Cl = (C4H9+ bullet C2H5Cl)

Quantity Value Units Method Reference Comment
Deltar9.2kcal/molPHPMSSharma, Meza de Hojer, et al., 1985gas phase; M
Quantity Value Units Method Reference Comment
Deltar16.3cal/mol*KPHPMSSharma, Meza de Hojer, et al., 1985gas phase; M

Hydrogen + Ethyl Chloride = Ethane + Hydrogen chloride

By formula: H2 + C2H5Cl = C2H6 + HCl

Quantity Value Units Method Reference Comment
Deltar-16.6 ± 0.1kcal/molChydLacher, Emery, et al., 1956gas phase; ALS

IR Spectrum

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Data compiled by: Coblentz Society, Inc.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director


Mass spectrum (electron ionization)

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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: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

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Mass spectrum
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Additional Data

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Owner NIST Mass Spectrometry Data Center
Collection (C) 2014 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
NIST MS number 19016

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Vibrational and/or electronic energy levels

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), References, Notes

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 sigma = 1


 Sym.   No   Approximate   Selected Freq.  Infrared   Raman   Comments 
 Species   type of mode   Value   Rating   Value  Phase  Value  Phase

a' 1 CH2 s-str 2967  D 2977 M sln. 2967 M p liq.
a' 2 CH3 d-str 2946  C 2946 S gas 2934 M p liq.
a' 3 CH3 s-str 2881  C 2881 S gas 2883 W p liq.
a' 4 CH3 d-deform 1463  D 1463 S sln.
a' 5 CH2 scis 1448  D 1448 S gas 1453 M dp liq. OV(«nu»14)
a' 6 CH3 s-deform 1385  C 1385 S gas 1383 W dp liq.
a' 7 CH2 wag 1289  C 1289 VS gas 1283 W p liq.
a' 8 CH3 rock 1081  D 1081 VW gas 1072 M p liq.
a' 9 CC str 974  D 974 VS gas 969 W dp liq. OV(«nu»16)
a' 10 CCl str 677  C 677 VS gas 659 VS p liq.
a' 11 CCCl deform 336  C 336 M gas 337 S p liq.
a 12 CH2 a-str 3014  D 3014 VS gas 3013 W liq.
a 13 CH3 d-str 2986  D 2986 VS gas 2978 W liq.
a 14 CH3 d-deform 1448  D 1448 S gas 1453 M dp liq. OV(«nu»5)
a 15 CH2 twist 1251  D 1251 VW gas 1248 W dp liq.
a 16 CH3 rock 974  D 974 VS gas 969 W dp liq. OV(«nu»9)
a 17 CH2 rock 786  B 786 M gas
a 18 Torsion 251  B 251 W gas MW: «nu»251

Source: Shimanouchi, 1972

Notes

VSVery strong
SStrong
MMedium
WWeak
VWVery weak
pPolarized
dpDepolarized
OVOverlapped by band indicated in parentheses.
MWTorsional Frequency calculated from microwave spectroscopic data.
B1~3 cm-1 uncertainty
C3~6 cm-1 uncertainty
D6~15 cm-1 uncertainty

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), 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.

Fletcher and Pilcher, 1971
Fletcher, R.A.; Pilcher, G., Measurements of heats of combustion by flame calorimetry. Part 7.-Chloromethane, chloroethane, 1-chloropropane, 2-chloropropane, Trans. Faraday Soc., 1971, 67, 3191-3201. [all data]

Casey and Fordham, 1951
Casey, D.W.H.; Fordham, S., An all-glass calorimeter, and the heat of combustion of ethyl chloride, J. Chem. Soc., 1951, 2513-2516. [all data]

Manion, 2002
Manion, J.A., Evaluated Enthalpies of Formation of the Stable Closed Shell C1 and C2 Chlorinated Hydrocarbons, J. Phys. Chem. Ref. Data, 2002, 31, 1, 123-172, https://doi.org/10.1063/1.1420703 . [all data]

Gordon and Giauque, 1948
Gordon, J.; Giauque, W.F., The entropy of ethyl chloride. Heat capacity from 18 to 287K. Vapor pressure. Heats of fusion and vaporization, J. Am. Chem. Soc., 1948, 70, 1506-1510. [all data]

Kurbatov, 1948
Kurbatov, V.Ya., Heat capacity of liquids. 2. Heat capacity and the temperature dependence of heat capacity from halogen derivatives of acylic hydrocarbons, Zh. Obshch. Kim., 1948, 18, 372-389. [all data]

Riedel, 1941
Riedel, L., Determination of the specific heat of liquid ethyl chloride and liquid methylene chloride, Bull. Int. Inst., Refrig. Annex 22, 1941, No4, 1-3. [all data]

Riedel, 1940
Riedel, L., Bestimmung der spezifischen Wärme von Äthychlorid und Methylenchlorid im flüssigen Zustand, Z. ges. Kalte-Ind., 1940, 47, 87. [all data]

Jenkin and Shorthose, 1924
Jenkin, C.F.; Shorthose, D.N., Thermal properties of ethyl chloride, 1924, 347-349. [all data]

Timmermans, 1952
Timmermans, J., Freezing points of organic compounds. VVI New determinations., Bull. Soc. Chim. Belg., 1952, 61, 393. [all data]

Awbery, 1941
Awbery, J.H., Philos. Mag., 1941, 31, 247. [all data]

Timmermans and Hennaut-Roland, 1937
Timmermans, J.; Hennaut-Roland, M., Works from International Bureau at Physical-Chemical Standards. VIII. Physical constants of 20 organic compounds, J. Chim. Phys. Phys.-Chim. Biol., 1937, 34, 693. [all data]

Timmermans, 1911
Timmermans, J., Researches on the freezing point of organic liquid compounds, Bull. Soc. Chim. Belg., 1911, 25, 300. [all data]

Gordon and Giauque, 1948, 2
Gordon, J.; Giauque, W.F., The Entropy of Ethyl Chloride. Heat Capacity from 13 to 287 K. Vapor Pressure. Heats of Fusion and Vaporization, J. Am. Chem. Soc., 1948, 70, 1506. [all data]

Berthoud, 1917
Berthoud, A., Determination of Critical Temperatures and Pressures of Amines and Alkyl Chlorides, J. Chim. Phys. Phys.-Chim. Biol., 1917, 15, 3. [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]

Yates, 1926
Yates, G.W.C., LXXIV. Latent heats of vaporization of ethyl and methyl chlorides, Philos. Mag., 1926, 2, 817-826. [all data]

Acree, 1991
Acree, William E., Thermodynamic properties of organic compounds: enthalpy of fusion and melting point temperature compilation, Thermochimica Acta, 1991, 189, 1, 37-56, https://doi.org/10.1016/0040-6031(91)87098-H . [all data]

Li, Ross, et al., 1996
Li, C.; Ross, P.; Szulejko, J.; McMahon, T.B., High-Pressure Mass Spectrometric Investigations of the Potential Energy Surfaces of Gas-Phase Sn2 Reactions., J. Am. Chem. Soc., 1996, 118, 39, 9360, https://doi.org/10.1021/ja960565o . [all data]

Riveros, Breda, et al., 1973
Riveros, J.M.; Breda, A.C.; Blair, L.K., Formation and relative stability of chloride ion clusters in the gas phase by ICR spectroscopy, J. Am. Chem. Soc., 1973, 95, 4066. [all data]

Larson and McMahon, 1984
Larson, J.W.; McMahon, T.B., Fluoride and chloride affinities of main group oxides, fluorides, oxofluorides, and alkyls. Quantitative scales of lewis acidities from ion cyclotron resonance halide-exchange equilibria, J. Phys. Chem., 1984, 88, 1083. [all data]

Levanova, Bushneva, et al., 1979
Levanova, s.V.; Bushneva, I.I.; Rodova, R.M.; Rozhnov, A.M.; Treger, Yu.A.; Aprelkin, A.S., Thermodynamic stability of chloroethanes in dehydrochlorination reactions, J. Appl. Chem. USSR, 1979, 52, 1439-1442. [all data]

Howlett, 1955
Howlett, K.E., The use of equilibrium constants to calculate thermodynamic quantities. Part II, J. Chem. Soc., 1955, 1784-17. [all data]

Lane, Linnett, et al., 1953
Lane, M.R.; Linnett, J.W.; Oswin, H.G., A study of the C2H4+HCl=C2H5Cl and C2H4+Hbr=C2H5Br equilibria, Proc. Roy. Soc. London A, 1953, 216, 361-374. [all data]

Luczynski and Wincel, 1974
Luczynski, Z.; Wincel, H., Ion - Molecule Reactions in Ethyl Chloride, Int. J. Mass Spectrom. Ion Phys., 1974, 14, 1, 29, https://doi.org/10.1016/0020-7381(74)80059-8 . [all data]

Sharma, Meza de Hojer, et al., 1985
Sharma, D.M.S.; Meza de Hojer, S.; Kebarle, P., Stabilities of halonium ions from a study of gas-phase equilibria R+ + XR' = (RXR')+, J. Am. Chem. Soc., 1985, 107, 13, 3757, https://doi.org/10.1021/ja00299a002 . [all data]

Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G., Thermochemistry of Organic and Organometallic Compounds in Academic Press, New York, 1970. [all data]

Rosenstock, Buff, et al., 1982
Rosenstock, H.M.; Buff, R.; Ferreira, M.A.A.; Lias, S.G.; Parr, A.C.; Stockbauer, R.L.; Holmes, J.L., Fragmentation mechanism and energetics of some alkyl halide ions, J. Am. Chem. Soc., 1982, 104, 2337. [all data]

Sen Sharma and Kebarle, 1978
Sen Sharma, D.K.; Kebarle, P., Binding Energies and Stabilities of Chloronium Ions from Study of the Gas - Phase Equilibria: R1+ + ClR2 = R1ClR2+, J. Am. Chem. Soc., 1978, 100, 18, 5826, https://doi.org/10.1021/ja00486a039 . [all data]

Lacher, Emery, et al., 1956
Lacher, J.R.; Emery, E.; Bohmfalk, E.; Park, J.D., Reaction heats of organic compounds. IV. A high temperature calorimeter and the hydrogenation of methyl ethyl and vinyl chlorides, J. Phys. Chem., 1956, 60, 492-495. [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, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, References