Ethylene, 1,2-dichloro-, (Z)-

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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
Δfgas-3. ± 2.kJ/molReviewManion, 2002based on measurements by 1974RLV of equilbrium with 1,1-dichloroethane; DRB
Δfgas4.27kJ/molEqkRozhnov, Levanova, et al., 1974ALS
Δfgas3.kJ/molCmKirkbride, 1956Heat of chlorination; ALS

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.
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos

Quantity Value Units Method Reference Comment
Tboil333.5KN/AWeast and Grasselli, 1989BS
Tboil333.5KN/AAmaya, 1961Uncertainty assigned by TRC = 0.4 K; TRC
Tboil333.2KN/AAndrews and Keefer, 1951Uncertainty assigned by TRC = 0.6 K; TRC
Tboil333.5KN/AMaryott, Hobbs, et al., 1941Uncertainty assigned by TRC = 0.3 K; TRC
Tboil333.0KN/AAwbery and Griffiths, 1936Uncertainty assigned by TRC = 2. K; estimate based on distillation curve; TRC
Quantity Value Units Method Reference Comment
Tfus193.KN/ABroers, Ketelaar, et al., 1950Crystal phase 1 phase; Uncertainty assigned by TRC = 0.1 K; TRC
Quantity Value Units Method Reference Comment
Δvap31. ± 1.kJ/molReviewManion, 2002adopted Cox and Pilcher, 1970 recommendation plus a correction for non-ideality; DRB
Δvap30.90kJ/molVKetelaar, Van Velden, et al., 1947ALS

Enthalpy of vaporization

ΔvapH (kJ/mol) Temperature (K) Method Reference Comment
31.8288.N/AKetelaar, van Velden, et al., 2010Based on data from 273. to 356. K.; AC
29.3347.AStephenson and Malanowski, 1987Based on data from 332. to 495. K.; AC
31.5288.AStephenson and Malanowski, 1987Based on data from 273. to 334. K. See also Dykyj, 1970.; AC
31.6307.N/AFlom, Alpert, et al., 1951Based on data from 292. to 335. 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
273.91 to 356.784.06901163.729-47.174Ketelaar, van Velden, et al., 1947Coefficents calculated by NIST from author's data.

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:


Gas phase ion energetics 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 evaluated as indicated in comments:
L - Sharon G. Lias

Data compiled as indicated in comments:
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

Quantity Value Units Method Reference Comment
IE (evaluated)9.66 ± 0.01eVN/AN/AL

Ionization energy determinations

IE (eV) Method Reference Comment
9.65PELake and Thompson, 1970RDSH
9.68PEJonathan, Ross, et al., 1970RDSH
9.66SWalsh and Warsop, 1968RDSH
9.65 ± 0.01PIWatanabe, Nakayama, et al., 1962RDSH
9.66 ± 0.02PIMomigny, 1960RDSH
9.65PIBralsford, Harris, et al., 1960RDSH
9.8PEVon Niessen, Asbrink, et al., 1982Vertical value; LBLHLM
9.80PEWittel and Bock, 1974Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C2HCl+13.27 ± 0.05HClEIMomigny, 1961RDSH
C2H2Cl+12.29 ± 0.05ClEIMomigny, 1961RDSH

IR Spectrum

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Data compiled by: Coblentz Society, Inc.

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


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     Symmetry Number σ = 2


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

a1 1 CH str 3077  C 3077 liq.
a1 2 CC str 1587  C 1590 S liq. 1587 S p liq.
a1 3 CH bend 1179  C 1183 W liq. 1179 S p liq.
a1 4 CCl str 711  C 714 S liq. 711 S p liq.
a1 5 CCCl deform 173  C 173 S p liq.
a2 6 CH bend 876  C  ia 876 W dp liq.
a2 7 Torsion 406  C  ia 406 S dp liq.
b1 8 CH str 3072  C 3072 gas
b1 9 CH bend 1303  C 1303 gas
b1 10 CCl str 857  B 857 gas
b1 11 CCCl deform 571  B 571 gas 563 M dp liq.
b2 12 CH bend 697  B 697 gas

Source: Shimanouchi, 1972

Notes

SStrong
MMedium
WWeak
iaInactive
pPolarized
dpDepolarized
B1~3 cm-1 uncertainty
C3~6 cm-1 uncertainty

Gas Chromatography

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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

Kovats' RI, non-polar column, isothermal

View large format table.

Column type Active phase Temperature (C) I Reference Comment
CapillaryOV-170.597.Annino and Villalobos, 199922.6 m/0.53 mm/2.78 μm
PackedOV-1100.598.Castello and Gerbino, 1988He, Chromosorb W DMCS; Column length: 3. m
PackedOV-1125.598.Castello and Gerbino, 1988He, Chromosorb W DMCS; Column length: 3. m
PackedOV-175.597.Castello and Gerbino, 1988He, Chromosorb W DMCS; Column length: 3. m

Kovats' RI, polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
CapillaryCarbowax 20M70.1010.Annino and Villalobos, 199931.3 m/0.53 mm/0.54 μm
PackedSP-1000100.1003.6Castello and Gerbino, 1988He, Chromosorb W DMCS; Column length: 3. m
PackedSP-1000125.1003.47Castello and Gerbino, 1988He, Chromosorb W DMCS; Column length: 3. m
PackedSP-100075.998.32Castello and Gerbino, 1988He, Chromosorb W DMCS; Column length: 3. m

Van Den Dool and Kratz RI, non-polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryPetrocol DH588.White, Hackett, et al., 1992100. m/0.25 mm/0.5 μm, He, 1. K/min; Tstart: 30. C; Tend: 220. C
CapillarySE-54609.Weber, 198625. m/0.31 mm/0.17 μm, H2, 2. K/min; Tstart: 35. C

Normal alkane RI, non-polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
CapillaryDB-160.592.Shimadzu, 200360. m/0.32 mm/1. μm, He

Normal alkane RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryHP-5 MS608.Kotowska, Zalikowski, et al., 201230. m/0.25 mm/0.25 μm, Helium, 35. C @ 5. min, 3. K/min, 300. C @ 15. min
CapillaryBP-1592.Health Safety Executive, 200050. m/0.22 mm/0.75 μm, He, 5. K/min; Tstart: 50. C; Tend: 200. C
CapillarySE-54578.Huang, Liang, et al., 199636. m/0.25 mm/0.25 μm, 5. K/min; Tstart: 35. C; Tend: 240. C

Normal alkane RI, non-polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryPolydimethyl siloxanes596.Zenkevich, 2003Program: not specified
CapillaryMethyl Silicone596.Zenkevich, 2001Program: not specified
CapillaryDB-5616.Sorimachi, Tanabe, et al., 1995He; Column length: 30. m; Program: not specified

Normal alkane RI, polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
CapillaryDB-Wax60.1010.Shimadzu, 200350. m/0.32 mm/1. μm, He

References

Go To: Top, Gas phase thermochemistry data, Phase change data, Gas phase ion energetics data, IR Spectrum, Vibrational and/or electronic energy levels, Gas Chromatography, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

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]

Rozhnov, Levanova, et al., 1974
Rozhnov, A.M.; Levanova, S.V.; Dvornikova, G.A.; Sadovnikova, S.L., Equilibrium of isomerization of dichloroethylenes, J. Appl. Chem. USSR, 1974, 47, 667-669. [all data]

Kirkbride, 1956
Kirkbride, F.W., The heats of chlorination of some hydrocarbons and their chloro-derivatives, J. Appl. Chem., 1956, 6, 11-21. [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]

Amaya, 1961
Amaya, K., Thermodynamical studies on bionary systems consisting of polar and non-polar liquids. II. the measurement of the heats of mixing for binary systems of polar and non-polar liquids, Bull. Chem. Soc. Jpn., 1961, 34, 1278. [all data]

Andrews and Keefer, 1951
Andrews, L.J.; Keefer, R.M., The Argentation of Organic Iodides, J. Am. Chem. Soc., 1951, 73, 5733-5736. [all data]

Maryott, Hobbs, et al., 1941
Maryott, A.A.; Hobbs, M.E.; Gross, P.M., Bond Moment Additivity and the Electric Moments of Some Halogenated Hydrocarbons, J. Am. Chem. Soc., 1941, 63, 659. [all data]

Awbery and Griffiths, 1936
Awbery, J.H.; Griffiths, E., The Viscosities of Some Liquid Refrigerants, Proc. Phys. Soc. London, 1936, 48, 372-80. [all data]

Broers, Ketelaar, et al., 1950
Broers, G.H.J.; Ketelaar, J.A.A.; Van Velden, P.F., Melting-point Diagram and Hets of Fusion of cis- and trans-1,2-Dichloro-ethene, Recl. Trav. Chim. Pays-Bas, 1950, 69, 1122. [all data]

Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G., Thermochemistry of Organic and Organometallic Compounds, Academic, London, 1970, 636. [all data]

Ketelaar, Van Velden, et al., 1947
Ketelaar, J.A.A.; Van Velden, P.F.; Zalm, P., Vapour pressures and heats of vaporization of cis- and trans-1,2-dichloroethene, Rec. Trav. Chim. Pays/Bas, 1947, 66, 27. [all data]

Ketelaar, van Velden, et al., 2010
Ketelaar, J.A.A.; van Velden, P.F.; Zalm, P., Vapour pressures and heats of vaporization of cis- and trans-1,2-dichloroethene, Recl. Trav. Chim. Pays-Bas, 2010, 66, 12, 721-732, https://doi.org/10.1002/recl.19470661202 . [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]

Dykyj, 1970
Dykyj, J., Petrochemica, 1970, 10, 2, 51. [all data]

Flom, Alpert, et al., 1951
Flom, Donald G.; Alpert, Norman; Elving, Philip J., Systems Involving cis-or trans-Dichloroethylene and an Acetal or Ether, Ind. Eng. Chem., 1951, 43, 5, 1178-1181, https://doi.org/10.1021/ie50497a051 . [all data]

Ketelaar, van Velden, et al., 1947
Ketelaar, J.A.A.; van Velden, P.F.; Zalm, P., Vapour Pressures and Heats of Vaporization of cis- and trans-1,2-Dichloroethene, Recl. Trav. Chim. Pays-Bas, 1947, 66, 12, 721-732, https://doi.org/10.1002/recl.19470661202 . [all data]

Lake and Thompson, 1970
Lake, R.F.; Thompson, H., Photoelectron spectra of halogenated ethylenes, Proc. Roy. Soc. (London), 1970, A315, 323. [all data]

Jonathan, Ross, et al., 1970
Jonathan, N.; Ross, K.; Tomlinson, V., The photoelectron spectra of dichloroethylenes, Intern. J. Mass Spectrom. Ion Phys., 1970, 4, 51. [all data]

Walsh and Warsop, 1968
Walsh, A.D.; Warsop, P.A., Ultra-violet absorption spectrum of cis-1,2-dichloro ethylene, J. Chem. Soc. Faraday Trans., 1968, 64, 1418. [all data]

Watanabe, Nakayama, et al., 1962
Watanabe, K.; Nakayama, T.; Mottl, J., Ionization potentials of some molecules, J. Quant. Spectry. Radiative Transfer, 1962, 2, 369. [all data]

Momigny, 1960
Momigny, J., Les potentials d'ionisation des dihalogenoethylenes cis et trans, Bull. Classe Sci. Acad. Roy. Belg., 1960, 46, 686. [all data]

Bralsford, Harris, et al., 1960
Bralsford, R.; Harris, P.V.; Price, W.C., The effect of fluorine on the electronic spectra and ionization potentials of molecules, Proc. Roy. Soc. (London), 1960, A258, 459. [all data]

Von Niessen, Asbrink, et al., 1982
Von Niessen, W.; Asbrink, L.; Bieri, G., 30.4 nm He(II) Photoelectron spectra of organic molecules. Part VI. Halogeno-compounds (C,H,X: X = Cl, Br, I), J. Electron Spectrosc. Relat. Phenom., 1982, 26, 173. [all data]

Wittel and Bock, 1974
Wittel, K.; Bock, H., Photoelektronenspekten und molekuleigenschaften. XXVII. Chlor- und bromathylene- beispiele fur anderungen in π- und σ-Systemen, Chem. Ber., 1974, 107, 317. [all data]

Momigny, 1961
Momigny, J., Comportement des dihalogenoethylenes cis et trans sous l'impact electronique, Bull. Soc. Chim. Belges, 1961, 70, 241. [all data]

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

Annino and Villalobos, 1999
Annino, R.; Villalobos, R., A strategy for the simplification and solution of complex chromatographic analysis problems utilizing two-dimensional mapping of retention indexes followed by computer modeling of heart cuts from serially coupled columns containing different stationary phases, J. Hi. Res. Chromatogr., 1999, 22, 10, 589-593. [all data]

Castello and Gerbino, 1988
Castello, G.; Gerbino, T.C., Effect of Temperature on the Gas Chromatographic Separation of Halogenated Compounds on Polar and Non-Polar Stationary Phases, J. Chromatogr., 1988, 437, 33-45, https://doi.org/10.1016/S0021-9673(00)90369-8 . [all data]

White, Hackett, et al., 1992
White, C.M.; Hackett, J.; Anderson, R.R.; Kail, S.; Spock, P.S., Linear temperature programmed retention indices of gasoline range hydrocarbons and chlorinated hydrocarbons on cross-linked polydimethylsiloxane, J. Hi. Res. Chromatogr., 1992, 15, 2, 105-120, https://doi.org/10.1002/jhrc.1240150211 . [all data]

Weber, 1986
Weber, L., Utilization of the Sadtler standard RI system in micropollution analyses, J. Hi. Res. Chromatogr. Chromatogr. Comm., 1986, 9, 8, 446-451, https://doi.org/10.1002/jhrc.1240090806 . [all data]

Shimadzu, 2003
Shimadzu, Gas chromatography analysis of organic solvents using capillary columns (No. 3), 2003, retrieved from http://www.shimadzu.com/apps/form.cfm. [all data]

Kotowska, Zalikowski, et al., 2012
Kotowska, U.; Zalikowski, M.; Isidorov, V.A., HS-SPME/GC-MS analysis of volatile and semi-volatile organic compounds emitted from municipal sewage sludge, Environ. Monit. Asses., 2012, 184, 5, 2893-2907, https://doi.org/10.1007/s10661-011-2158-8 . [all data]

Health Safety Executive, 2000
Health Safety Executive, MDHS 96 Volatile organic compounds in air - Laboratory method using pumed solid sorbent tubes, solvent desorption and gas chromatography in Methods for the Determination of Hazardous Substances (MDHS) guidance, Crown, Colegate, Norwich, 2000, 1-24, retrieved from http://www.hse.gov.uk/pubns/mdhs/pdfs/mdhs96.pdf. [all data]

Huang, Liang, et al., 1996
Huang, C.; Liang, H.; Han, S., The analysis of organic compounds in waste water by gas extraction/thermal desorption/gas chromatography-mass spectrometry, Chin. J. Chromatogr., 1996, 14, 6, 421-424. [all data]

Zenkevich, 2003
Zenkevich, I.G., Criteria for Evaluation of Elution Order of Isomeric Organic Compounds, Zh. Phys. Khim. (Rus.), 2003, 77, 1, 92-98. [all data]

Zenkevich, 2001
Zenkevich, I.G., Comparative Characterization of Conditions for Unambuguous Chromatographic Identification of Organic Compounds, Zh. Anal. Khim., 2001, 56, 9, 915-924. [all data]

Sorimachi, Tanabe, et al., 1995
Sorimachi, J.; Tanabe, A.; Mitobe, H.; Kuniaki, K.; Masaaki, S., Programmed temperature retention indices for volatile organic compounds on headspace GC/MS analysis, Niigata-ken Eisei Kogai Kenkyusho Nenpo, 1995, 11, 75-79. [all data]


Notes

Go To: Top, Gas phase thermochemistry data, Phase change data, Gas phase ion energetics data, IR Spectrum, Vibrational and/or electronic energy levels, Gas Chromatography, References