Ethene, 1,1-dichloro-
- Formula: C2H2Cl2
- Molecular weight: 96.943
- IUPAC Standard InChIKey: LGXVIGDEPROXKC-UHFFFAOYSA-N
- CAS Registry Number: 75-35-4
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: Ethylene, 1,1-dichloro-; Vinylidene chloride; 1,1-Dichloroethene; 1,1-Dichloroethylene; CH2=CCl2; Chlorure de vinylidene; 1,1-DCE; NCI-C54262; Rcra waste number U078; VDC; Vinylidene dichloride; Vinylidine chloride; 1,1-dichloroethylene (vinylidine chloride); 1,1-dichloroethylene (vinylidene chloride)
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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 |
---|---|---|---|---|---|
ΔfH°gas | 2. ± 2. | kJ/mol | Review | Manion, 2002 | derived from recommended ΔfHliquid° and ΔvapH°; DRB |
ΔfH°gas | 2.2 ± 1.4 | kJ/mol | Ccr | Mansson, Ringner, et al., 1971 | 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 |
---|---|---|---|---|---|
ΔfH°liquid | -24. ± 2. | kJ/mol | Review | Manion, 2002 | weighted average of several measurements; DRB |
ΔfH°liquid | -24.3 ± 1.4 | kJ/mol | Ccr | Mansson, Ringner, et al., 1971 | ALS |
ΔfH°liquid | -25. ± 1. | kJ/mol | Ccb | Sinke and Stull, 1958 | ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°liquid | -1096.0 ± 1.4 | kJ/mol | Ccr | Mansson, Ringner, et al., 1971 | ALS |
ΔcH°liquid | -1095.9 | kJ/mol | Ccb | Sinke and Stull, 1958 | ALS |
Quantity | Value | Units | Method | Reference | Comment |
S°liquid | 201.54 | J/mol*K | N/A | Hildenbrand, McDonald, et al., 1959 | DH |
Constant pressure heat capacity of liquid
Cp,liquid (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
111.29 | 298.15 | Hildenbrand, McDonald, et al., 1959 | T = 13 to 290 K.; DH |
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
DH - Eugene S. Domalski and Elizabeth D. Hearing
AC - William E. Acree, Jr., James S. Chickos
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 304.2 | K | N/A | Aldrich Chemical Company Inc., 1990 | BS |
Tboil | 304.55 | K | N/A | Kovac, Svoboda, et al., 1985 | Uncertainty assigned by TRC = 0.2 K; TRC |
Tboil | 304.7 | K | N/A | Majer and Svoboda, 1985 | |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 150.59 | K | N/A | Hildenbrand, McDonald, et al., 1959, 2 | Uncertainty assigned by TRC = 0.02 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 26.74 | kJ/mol | N/A | Majer and Svoboda, 1985 | |
ΔvapH° | 26.74 ± 0.09 | kJ/mol | Review | Manion, 2002 | derived from vapor pressure data of Hildebranld, Kramer, et al., 1959 plus a correction for non-ideality; DRB |
ΔvapH° | 26.48 ± 0.08 | kJ/mol | C | Mansson, Ringner, et al., 1971 | ALS |
ΔvapH° | 26.48 ± 0.084 | kJ/mol | V | Hildenbrand, McDonald, et al., 1959 | ALS |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
26.14 | 304.7 | N/A | Majer and Svoboda, 1985 | |
26.476 | 298.15 | N/A | Hildenbrand, McDonald, et al., 1959 | P = 80.03 kPa; DH |
28.4 | 260. | A | Stephenson and Malanowski, 1987 | Based on data from 245. to 305. K. See also Hildenbrand and McDonald, 1959 and Dykyj, 1970.; AC |
Entropy of vaporization
ΔvapS (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
88.80 | 298.15 | Hildenbrand, McDonald, et al., 1959 | P; DH |
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 |
---|---|---|---|---|---|
244.79 to 305.7 | 4.1078 | 1104.726 | -35.403 | Hildenbrand, McDonald, et al., 1959 | Coefficents calculated by NIST from author's data. |
Enthalpy of fusion
ΔfusH (kJ/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
6.514 | 150.59 | Hildenbrand, McDonald, et al., 1959 | DH |
6.51 | 150.9 | Domalski and Hearing, 1996 | AC |
Entropy of fusion
ΔfusS (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
43.26 | 150.59 | Hildenbrand, McDonald, et al., 1959 | DH |
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
By formula: C2H3Cl3 = C2H2Cl2 + HCl
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 56.9 | kJ/mol | Eqk | Levanova, Bushneva, et al., 1979 | liquid phase |
ΔrH° | 49.0 | kJ/mol | Eqk | Levanova, Bushneva, et al., 1979 | gas phase |
ΔrH° | 56.9 ± 2.1 | kJ/mol | Eqk | Levanova, Treger, et al., 1975 | liquid phase; solvent: Nitrobenzene; Flow reactor at 50°C |
By formula: C2H3Cl3 = C2H2Cl2 + HCl
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 51.5 | kJ/mol | Eqk | Levanova, Bushneva, et al., 1979 | gas phase |
ΔrH° | 65.3 | kJ/mol | Eqk | Levanova, Bushneva, et al., 1979 | liquid phase |
By formula: C2H2Cl2 + HCl = C2H3Cl3
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -54.64 ± 0.84 | kJ/mol | Eqk | Hu, Sinke, et al., 1972 | gas phase; Heat of halogenation at 348-399 K |
By formula: C2H2Cl2 = C2H2Cl2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -5.52 | kJ/mol | Eqk | Rozhnov, Levanova, et al., 1974 | liquid phase; solvent: Dichloromethylene; GC |
By formula: C2H2Cl2 = C2H2Cl2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -3.5 | kJ/mol | Eqk | Rozhnov, Levanova, et al., 1974 | liquid phase; solvent: Dichloroethylene; GC |
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) = k°H exp(d(ln(kH))/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(kH))/d(1/T) = Temperature dependence constant (K)
k°H (mol/(kg*bar)) | d(ln(kH))/d(1/T) (K) | Method | Reference | Comment |
---|---|---|---|---|
0.034 | 4000. | L | N/A | |
0.037 | 3100. | X | N/A | |
0.043 | Q | N/A | missing citation give several references for the Henry's law constants but don't assign them to specific species. | |
0.034 | 4500. | X | N/A | |
0.037 | 2900. | X | N/A | |
0.039 | 3700. | M | Gossett, 1987 | |
0.065 | 1200. | X | N/A | |
0.027 | 4600. | X | Leighton and Calo, 1981 | |
0.0076 | L | N/A | ||
0.014 | 6600. | X | N/A | |
0.0052 | V | N/A | ||
0.0061 | V | N/A | Value at T = 293. K. | |
0.0065 | M | Pearson and McConnell, 1975 | The same data was also published in missing citation. Value at T = 293. K. |
IR Spectrum
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Data compiled by: Coblentz Society, Inc.
- Not specified, most likely a prism, grating, or hybrid spectrometer.; DIGITIZED BY NIST FROM HARD COPY; 4 cm-1 resolution
- GAS (100 mmHg, N2 ADDED, TOTAL PRESSURE 600 mmHg); DOW KBr FOREPRISM-GRATING; DIGITIZED BY COBLENTZ SOCIETY (BATCH II) FROM HARD COPY; 2 cm-1 resolution
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Data compiled by: Pamela M. Chu, Franklin R. Guenther, George C. Rhoderick, and Walter J. Lafferty
- gas; IFS66V (Bruker); 3-Term B-H Apodization
0.1250, 0.2410, 0.4820, 0.9640, 1.9290 cm-1 resolution - gas; IFS66V (Bruker); Boxcar Apodization
0.1250, 0.2410, 0.4820, 0.9640, 1.9290 cm-1 resolution - gas; IFS66V (Bruker); Happ Genzel Apodization
0.1250, 0.2410, 0.4820, 0.9640, 1.9290 cm-1 resolution - gas; IFS66V (Bruker); NB Strong Apodization
0.1250, 0.2410, 0.4820, 0.9640, 1.9290 cm-1 resolution - gas; IFS66V (Bruker); Triangular Apodization
0.1250, 0.2410, 0.4820, 0.9640, 1.9290 cm-1 resolution
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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Due to licensing restrictions, this spectrum cannot be downloaded.
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, 1990. |
NIST MS number | 114911 |
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: C2ν Symmetry Number σ = 2
Sym. | No | Approximate | Selected Freq. | Infrared | Raman | Comments | ||||
---|---|---|---|---|---|---|---|---|---|---|
Species | type of mode | Value | Rating | Value | Phase | Value | Phase | |||
a1 | 1 | CH2 s-str | 3035 | D | 3035 W | gas | 3035 VS p | liq. | l4 solution | |
a1 | 2 | CC str | 1627 | C | 1627 VS | gas | 1616 VS p | liq. | ||
a1 | 3 | CH2 scis | 1400 | C | 1400 M | gas | 1391 M p | liq. | ||
a1 | 4 | CCl2 s-str | 603 | C | 603 VS | gas | 601 VS p | liq. | ||
a1 | 5 | CCl2 scis | 299 | C | 299 W | gas | 299 S p | liq. | ||
a2 | 6 | Torsion | 686 | D | ia | 686 M dp | liq. | |||
b1 | 7 | CH2 a-str | 3130 | D | 3130 W | gas | 3130 S dp | liq. | l4 solution | |
b1 | 8 | CH2 rock | 1095 | C | 1095 VS | gas | 1088 VW | liq. | ||
b1 | 9 | CCl2 a-str | 800 | B | 800 VS | gas | 788 M dp | liq. | ||
b1 | 10 | CCl2 rock | 372 | C | 372 M | gas | 375 S dp | liq. | ||
b2 | 11 | CH2 wag | 875 | B | 875 S | gas | 874 W | liq. | ||
b2 | 12 | CCl2 wag | 460 | B | 460 S | gas | 458 M dp | liq. | ||
Source: Shimanouchi, 1972
Notes
VS | Very strong |
S | Strong |
M | Medium |
W | Weak |
VW | Very weak |
ia | Inactive |
p | Polarized |
dp | Depolarized |
B | 1~3 cm-1 uncertainty |
C | 3~6 cm-1 uncertainty |
D | 6~15 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, IR Spectrum, 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.
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]
Mansson, Ringner, et al., 1971
Mansson, M.; Ringner, B.; Sunner, S.,
The enthalpies of combustion and formation of some simple chloroalkanes and chloralkenes 1,1,1-trichloroethane and 1,1-dichloroethene,
J. Chem. Thermodyn., 1971, 3, 547-551. [all data]
Sinke and Stull, 1958
Sinke, G.C.; Stull, D.R.,
Heats of combustion of some organic compounds containing chlorine,
J. Phys. Chem., 1958, 62, 397-401. [all data]
Hildenbrand, McDonald, et al., 1959
Hildenbrand, d.L.; McDonald, R.A.; Kramer, W.R.; Stull, D.R.,
Thermodynamic and spectroscopic study of vinylidene chloride. I. Thermodynamic properties of the solid, liquid, and ideal gas,
J. Chem. Phys., 1959, 30, 930-934. [all data]
Aldrich Chemical Company Inc., 1990
Aldrich Chemical Company Inc.,
Catalog Handbook of Fine Chemicals, Aldrich Chemical Company, Inc., Milwaukee WI, 1990, 1. [all data]
Kovac, Svoboda, et al., 1985
Kovac, A.; Svoboda, J.; Ondrus, I.,
Vapor-liquid equilibrium of some binary systems containing 1,1-dichloroethylene,
Chem. Zvesti, 1985, 39, 6, 729. [all data]
Majer and Svoboda, 1985
Majer, V.; Svoboda, V.,
Enthalpies of Vaporization of Organic Compounds: A Critical Review and Data Compilation, Blackwell Scientific Publications, Oxford, 1985, 300. [all data]
Hildenbrand, McDonald, et al., 1959, 2
Hildenbrand, D.L.; McDonald, R.A.; Kramer, W.R.; Stull, D.R.,
Thermodyn. and spectroscopic study of vinylidene chloride. I. Thermodyn. properties of the solid, liquid, and ideal gas,
J. Chem. Phys., 1959, 30, 930-4. [all data]
Hildebranld, Kramer, et al., 1959
Hildebranld, D.L.; Kramer, W.K.; McDonald, R.A.; Stull, D.R.,
Thermodynamic and Spectroscopic Study of Vinylidene Chloride. I. Thermodynamic Properties of the Solid, Liquid, and Ideal Gas,
J. Chem. Phys., 1959, 30, 4, 930, https://doi.org/10.1063/1.1730128
. [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]
Hildenbrand and McDonald, 1959
Hildenbrand, D.L.; McDonald, R.A.,
The Heat of Vaporization and Vapor Pressure of Carbon Tetrachloride; The Entropy from Calorimetric Data.,
J. Phys. Chem., 1959, 63, 9, 1521-1522, https://doi.org/10.1021/j150579a053
. [all data]
Dykyj, 1970
Dykyj, J.,
Petrochemica, 1970, 10, 2, 51. [all data]
Domalski and Hearing, 1996
Domalski, Eugene S.; Hearing, Elizabeth D.,
Heat Capacities and Entropies of Organic Compounds in the Condensed Phase. Volume III,
J. Phys. Chem. Ref. Data, 1996, 25, 1, 1, https://doi.org/10.1063/1.555985
. [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]
Levanova, Treger, et al., 1975
Levanova, S.V.; Treger, Yu.A.; Velichko, S.M.; Rozhnov, A.M.; Bshneva, L.I.; Talanov, A.I.,
Equilibrium of the vinylidene chloride-methylchloroform system,
Zh. Prikl. Khim. (Leningrad), 1975, 42, 480-481. [all data]
Hu, Sinke, et al., 1972
Hu, A.T.; Sinke, G.C.; Mintz, M.J.,
The enthalpy of formation of 1,1,1-trichloroethane from enthalpy of combustion and equilibrium studies,
J. Chem. Thermodyn., 1972, 4, 239-245. [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]
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]
Leighton and Calo, 1981
Leighton, D.T.; Calo, J.M.,
Distribution Coefficients of Chlorinated Hydrocarbons in Dilute Air-Water Systems for Groundwater Contamination Applications,
J. Chem. Eng. Data, 1981, 26, 382-385. [all data]
Pearson and McConnell, 1975
Pearson, C.R.; McConnell, G.,
Chlorinated C1 and C2 Hydrocarbons in the Marine Environment,
Proc. R. Soc. London, B, 1975, 189, 305-332. [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, IR Spectrum, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, References
- Symbols used in this document:
Cp,liquid Constant pressure heat capacity of liquid S°liquid Entropy of liquid at standard conditions Tboil Boiling point Ttriple Triple point temperature d(ln(kH))/d(1/T) Temperature dependence parameter for Henry's Law constant k°H Henry's Law constant at 298.15K ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions ΔfusH Enthalpy of fusion ΔfusS Entropy of fusion ΔrH° Enthalpy of reaction at standard conditions ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization at standard conditions ΔvapS Entropy of vaporization - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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