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

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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-1. ± 2.kJ/molReviewManion, 2002based on measurements by 1974RLV of equilbrium with 1,1-dichloroethane; DRB
Δfgas1.7kJ/molEqkRozhnov, Levanova, et al., 1974GC; 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-30. ± 2.2kJ/molReviewManion, 2002derived from recommended ΔfHgas° and ΔvapH°; DRB
Δfliquid-14.34kJ/molEqkPitzer and Hollenberg, 1954Heat of isomerization at 0K; ALS
Quantity Value Units Method Reference Comment
Δcliquid-1095.8 ± 8.4kJ/molCcbSmith, Bjellerup, et al., 1953Reanalyzed by Cox and Pilcher, 1970, Original value = -1090. ± 10. kJ/mol; ALS

Constant pressure heat capacity of liquid

Cp,liquid (J/mol*K) Temperature (K) Reference Comment
113.0288.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
Tboil321. ± 2.KAVGN/AAverage of 6 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus223.KN/ABroers, Ketelaar, et al., 1950Crystal phase 1 phase; Uncertainty assigned by TRC = 0.1 K; TRC
Quantity Value Units Method Reference Comment
Δvap30. ± 1.kJ/molReviewManion, 2002adopted Cox and Pilcher, 1970, 2 recommendation plus a correction for non-ideality; DRB
Δvap29.47kJ/molVKetelaar, Van Velden, et al., 1947ALS

Enthalpy of vaporization

ΔvapH (kJ/mol) Temperature (K) Method Reference Comment
31.4250.N/AKetelaar, van Velden, et al., 2010Based on data from 235. to 358. K.; AC
29.0336.AStephenson and Malanowski, 1987Based on data from 321. to 473. K.; AC
30.4278.AStephenson and Malanowski, 1987Based on data from 263. to 323. K. See also Dykyj, 1970.; AC
30.1288.N/AMachat, 1983Based on data from 273. to 319. 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
234.96 to 357.993.942141064.346-50.344Ketelaar, 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:


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:   C2h     Symmetry Number σ = 2


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

ag 1 CH str 3073  C  ia 3073 S p liq.
ag 2 CC str 1578  C  ia 1578 S p liq.
ag 3 CH bend 1274  C  ia 1274 S p liq.
ag 4 CCl str 846  C  ia 846 S p liq.
ag 5 CCCl deform 350  C  ia 350 S p liq.
au 6 CH bend 900  B 899.8 VS gas  ia
au 7 Torsion 227  C 227 M gas  ia
bg 8 CH bend 763  B  ia 763 M dp liq.
bu 9 CH str 3090  C 3090 S gas  ia
bu 10 CH bend 1200  B 1200 S gas  ia
bu 11 CCl str 828  B 828 VS gas  ia
bu 12 CCCl deform 250  D 250 W gas  ia

Source: Shimanouchi, 1972

Notes

VSVery strong
SStrong
MMedium
WWeak
iaInactive
pPolarized
dpDepolarized
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, 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]

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]

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]

Machat, 1983
Machat, V., , Thesis, Utzcht, Prague, 1983. [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]

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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