Ethyl Chloride

• Formula: C₂H₅Cl
• Molecular weight: 64.514
• IUPAC Standard InChI: InChI=1S/C2H5Cl/c1-2-3/h2H2,1H3 Copy

  
• IUPAC Standard InChIKey: HRYZWHHZPQKTII-UHFFFAOYSA-N Copy
• CAS Registry Number: 75-00-3
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
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• Other names: Ethane, chloro-; Aethylis; Aethylis chloridum; Anodynon; Chelen; Chlorene; Chlorethyl; Chloridum; Chloroethane; Chloryl; Chloryl anesthetic; Cloretilo; Dublofix; Ether chloratus; Ether hydrochloric; Ether muriatic; Hydrochloric ether; Kelene; Monochlorethane; Monochloroethane; Muriatic ether; Narcotile; C2H5Cl; Aethylchlorid; Chloorethaan; Chloroaethan; Chlorure D'ethyle; Cloroetano; Cloruro di etile; Etylu chlorek; NCI-C06224; UN 1037; Chloryle anesthetic
• Permanent link for this species. Use this link for bookmarking this species for future reference.
• Information on this page:
  • Gas phase thermochemistry data
  • Reaction thermochemistry data
  • Henry's Law data
  • Vibrational and/or electronic energy levels
  • References
  • Notes
• Other data available:
  • Condensed phase thermochemistry data
  • Phase change data
  • Gas phase ion energetics data
  • Ion clustering data
  • IR Spectrum
  • Mass spectrum (electron ionization)
  • Gas Chromatography
• Data at other public NIST sites:
  • Gas Phase Kinetics Database
  • X-ray Photoelectron Spectroscopy Database, version 5.0
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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

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

 +  = ( • )

By formula: Cl^- + C₂H₅Cl = (Cl^- • C₂H₅Cl)

=  + 

By formula: C₂H₅Cl = C₂H₄ + HCl

(C₂H₅⁺ • 2) +  = (C₂H₅⁺ • 3)

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

(C₂H₅⁺ • ) +  = (C₂H₅⁺ • 2)

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

 +  = ( • )

By formula: Br^- + C₂H₅Cl = (Br^- • C₂H₅Cl)

 +  = ( • )

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

C₄H₉⁺ +  = (C₄H₉⁺ • )

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

 +  =  + 

By formula: H₂ + C₂H₅Cl = C₂H₆ + HCl

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)

k_H(T) = k°_H exp(d(ln(k_H))/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(k_H))/d(1/T) = Temperature dependence constant (K)

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:   C_s     Symmetry Number σ = 1

Source: Shimanouchi, 1972

Notes

References

Go To: Top, Gas phase thermochemistry 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.

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]

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]

Gossett, 1987
Gossett, J.M., Measurement of Henry's Law Constants for C1 and C2 Chlorinated Hydrocarbons, Environ. Sci. Technol., 1987, 21, 202-208. [all data]

Shimanouchi, 1972
Shimanouchi, T., Tables of Molecular Vibrational Frequencies Consolidated Volume I, National Bureau of Standards, 1972, 1-160. [all data]

Notes

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• Symbols used in this document:
  

  d(ln(kH))/d(1/T)	Temperature dependence parameter for Henry's Law constant
  k°H	Henry's Law constant at 298.15K
  ΔcH°gas	Enthalpy of combustion of gas at standard conditions
  ΔfH°gas	Enthalpy of formation of gas at standard conditions
  ΔrG°	Free energy of reaction at standard conditions
  ΔrH°	Enthalpy of reaction at standard conditions
  ΔrS°	Entropy of reaction at standard conditions

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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