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Ethyne, dichloro-

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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.

Quantity Value Units Method Reference Comment
Deltafgas209.62kJ/molReviewChase, 1998Data last reviewed in December, 1968
Deltafgas227. ± 14.kJ/molReviewManion, 2002estimate based on a diverse set of quantum calculations; DRB
Quantity Value Units Method Reference Comment
gas,1 bar272.03J/mol*KReviewChase, 1998Data last reviewed in December, 1968

Gas Phase Heat Capacity (Shomate Equation)

Cp° = A + B*t + C*t2 + D*t3 + E/t2
H° − H°298.15= A*t + B*t2/2 + C*t3/3 + D*t4/4 − E/t + F − H
S° = A*ln(t) + B*t + C*t2/2 + D*t3/3 − E/(2*t2) + G
    Cp = heat capacity (J/mol*K)
    H° = standard enthalpy (kJ/mol)
    S° = standard entropy (J/mol*K)
    t = temperature (K) / 1000.

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Temperature (K) 298. - 1200.1200. - 6000.
A 61.9495684.88081
B 35.384171.284146
C -20.38968-0.249917
D 4.4889730.016798
E -0.465554-5.244267
F 188.1846171.9524
G 334.6924357.8454
H 209.6184209.6184
ReferenceChase, 1998Chase, 1998
Comment Data last reviewed in December, 1968 Data last reviewed in December, 1968

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 by: Donald R. Burgess, Jr.

Quantity Value Units Method Reference Comment
Deltafliquid199. ± 14.kJ/molReviewManion, 2002derived from recommended «DELTA»fHgas° and «DELTA»vap

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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Kenneth Kroenlein director
DRB - Donald R. Burgess, Jr.

Quantity Value Units Method Reference Comment
Tfus147.15KN/ATimmermans, 1952Uncertainty assigned by TRC = 0.5 K; TRC
Quantity Value Units Method Reference Comment
Deltavap27.4 ± 1.2kJ/molReviewManion, 2002estimated from Tb using DvH/Tb correlation for other chlorinated hydrocarbons; DRB

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-, (Z)- = Hydrogen + Ethyne, dichloro-

By formula: C2H2Cl2 = H2 + C2Cl2

Quantity Value Units Method Reference Comment
Deltar16.kJ/molKinLaursen and Pimentel, 1989gas phase; Photolysis

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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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 820

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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:   Dxh     Symmetry Number sigma = 2


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

«sigma»g+ 1 CC str 2234  D  ia 2234 S p liq.
«sigma»g+ 2 CCl str 477  D  ia 477 M p liq.
«sigma»u+ 3 CCl str 988  C 988 VS gas  ia
«pi»g 4 CCCl deform 333  D  ia 333 VS dp liq.
«pi»u 5 CCCl deform 172  C 172 S gas  ia

Source: Shimanouchi, 1972

Notes

VSVery strong
SStrong
MMedium
iaInactive
pPolarized
dpDepolarized
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, 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.

Chase, 1998
Chase, M.W., Jr., NIST-JANAF Themochemical Tables, Fourth Edition, J. Phys. Chem. Ref. Data, Monograph 9, 1998, 1-1951. [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]

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

Shimanouchi, 1972
Shimanouchi, T., Tables of Molecular Vibrational Frequencies Consolidated Volume II, J. Phys. Chem. Ref. Data, 1972, 6, 3, 993-1102. [all data]


Notes

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, References