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

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.
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Δfliquid-34.1 ± 2.2kJ/molReviewManion, 2002derived from recommended ΔfHgas° and ΔvapH°; DRB
Δfliquid-28.kJ/molCmKirkbride, 1956Heat of chlorination; ALS
Δfliquid-13.76kJ/molEqkPitzer and Hollenberg, 1954Heat of isomerization at 0K; ALS
Quantity Value Units Method Reference Comment
Δcliquid-1093.7 ± 8.4kJ/molCcbSmith, Bjellerup, et al., 1953Reanalyzed by Cox and Pilcher, 1970, Original value = -1092. ± 8. kJ/mol; ALS

Constant pressure heat capacity of liquid

Cp,liquid (J/mol*K) Temperature (K) Reference Comment
113.8288.Mehl, 1934DH

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, 2 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:


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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

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

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

By formula: C2H2Cl2 = C2H2Cl2

Quantity Value Units Method Reference Comment
Δr-2.0kJ/molEqkRozhnov, Levanova, et al., 1974liquid phase; GC
Δr-3.0 ± 0.67kJ/molEqkCraig, Piper, et al., 1971gas phase
Δr3.03kJ/molEqkWood and Stevenson, 1941gas phase; Heat of isomerization
Δr2.6kJ/molEqkMaroney, 1935gas phase; At 300-975 K

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

By formula: C2H2Cl2 = C2H2Cl2

Quantity Value Units Method Reference Comment
Δr0.8kJ/molKinLaursen and Pimentel, 1989gas phase; Photolysis
Δr1.8 ± 0.4kJ/molEqkCraig, Piper, et al., 1971gas phase
Δr1.86 ± 0.084kJ/molEqkPitzer and Hollenberg, 1954liquid phase; Heat of isomerization at 0K

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

By formula: C2H2Cl2 = C2H2Cl2

Quantity Value Units Method Reference Comment
Δr-5.52kJ/molEqkRozhnov, Levanova, et al., 1974liquid phase; solvent: Dichloromethylene; GC

Ethylene, 1,2-dichloro-, (Z)- + Chlorine = Ethane, 1,1,2,2-tetrachloro-

By formula: C2H2Cl2 + Cl2 = C2H2Cl4

Quantity Value Units Method Reference Comment
Δr-169.kJ/molCmKirkbride, 1956liquid phase; Heat of chlorination

Ethylene, 1,2-dichloro-, (Z)- = Hydrogen + Ethyne, dichloro-

By formula: C2H2Cl2 = H2 + C2Cl2

Quantity Value Units Method Reference Comment
Δr16.kJ/molKinLaursen and Pimentel, 1989gas phase; Photolysis

Ethylene, 1,2-dichloro-, (Z)- = Ethyne, chloro- + Hydrogen chloride

By formula: C2H2Cl2 = C2HCl + HCl

Quantity Value Units Method Reference Comment
Δr9.6kJ/molKinLaursen and Pimentel, 1989gas phase; Photolysis

Ethylene, 1,2-dichloro-, (Z)- = Acetylene + Chlorine

By formula: C2H2Cl2 = C2H2 + Cl2

Quantity Value Units Method Reference Comment
Δr21.kJ/molKinLaursen and Pimentel, 1989gas phase; Photolyses

Ethylene, 1,2-dichloro-, (Z)- + Hydrogen chloride = Ethane, 1,1,2-trichloro-

By formula: C2H2Cl2 + HCl = C2H3Cl3

Quantity Value Units Method Reference Comment
Δr-61.1kJ/molCmLevanova, Treger, et al., 1975liquid phase

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) = H exp(d(ln(kH))/d(1/T) ((1/T) - 1/(298.15 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)

H (mol/(kg*bar)) d(ln(kH))/d(1/T) (K) Method Reference Comment
0.243900.LN/A 
0.263400.XN/A 
0.243800.MN/A 
0.234000.XN/A 
0.13 QN/A missing citation give several references for the Henry's law constants but don't assign them to specific species.
0.254200.XN/A 
0.213100.XN/A 
0.274200.MGossett, 1987 
0.13 LN/A 
0.224100.XN/A 
0.13 VN/A 
0.30 VN/A 

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


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.
Origin NIST Mass Spectrometry Data Center, 1998.
NIST MS number 291425

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UV/Visible spectrum

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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: Victor Talrose, Alexander N. Yermakov, Alexy A. Usov, Antonina A. Goncharova, Axlexander N. Leskin, Natalia A. Messineva, Natalia V. Trusova, Margarita V. Efimkina

Spectrum

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UVVis spectrum
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Additional Data

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Source Perkampus and Braunschweig, 1966
Owner INEP CP RAS, NIST OSRD
Collection (C) 2007 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin INSTITUTE OF ENERGY PROBLEMS OF CHEMICAL PHYSICS, RAS
Source reference RAS UV No. 19933
Instrument Zeis PMQ II
Boiling point 60

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

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, 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.

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]

Pitzer and Hollenberg, 1954
Pitzer, K.S.; Hollenberg, J.L., Cis- and trans-dichloroethylenes. The infrared spectra from 130-400 cm.-1 and the thermodynamic properties, J. Am. Chem. Soc., 1954, 76, 1493-1496. [all data]

Smith, Bjellerup, et al., 1953
Smith, L.; Bjellerup, L.; Krook, S.; Westermark, H., Heats of combustion of organic chloro compounds determined by the "quartz wool" method, Acta Chem. Scand., 1953, 7, 65. [all data]

Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G., Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]

Mehl, 1934
Mehl, W., Die spezifische Wärme einiger flüssiger Kältemittel, Z. ges. Kalte-Ind., 1934, 41, 152-153. [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, 2
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]

Craig, Piper, et al., 1971
Craig, N.C.; Piper, L.G.; Wheeler, V.L., Thermodynamics of cis-trans isomerizations. II. The 1-chloro-2-fluoroethylenes, 1,2-difluorocyclopropanes, and related molecules, J. Phys. Chem., 1971, 75, 1453-1460. [all data]

Wood and Stevenson, 1941
Wood, R.E.; Stevenson, D.P., The energy of isomerization of cis- and trans-dichloroethylene, J. Am. Chem. Soc., 1941, 63, 1650-1653. [all data]

Maroney, 1935
Maroney, W., The thermal equilibrium of the cis-trans isomers of dichloroethylene at high temperatures, J. Am. Chem. Soc., 1935, 57, 2397-2398. [all data]

Laursen and Pimentel, 1989
Laursen, S.L.; Pimentel, G.C., Matrix-induced intersystem crossing in the photochemistry of the 1,2-dichloroethenes, J. Phys. Chem., 1989, 93, 2328-2333. [all data]

Levanova, Treger, et al., 1975
Levanova, S.V.; Treger, Yu.A.; Velichko, S.M.; Rozhnov, A.M.; Khlestkov, A.I.; Pisarev, V.V., Liquid-phase hydrochlorination of symmetrical dichloroethylenes, J. Appl. Chem. USSR, 1975, 48, 1628-1631, In original 1574. [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]

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]

Perkampus and Braunschweig, 1966
Perkampus, H.-H.; Braunschweig, T.H., UV atlas of organic compounds, 1966, 1, A1/4. [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, Henry's Law data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, Vibrational and/or electronic energy levels, References