Ethene, 1,1-dichloro-2,2-difluoro-
- Formula: C2Cl2F2
- Molecular weight: 132.924
- IUPAC Standard InChIKey: QDGONURINHVBEW-UHFFFAOYSA-N
- CAS Registry Number: 79-35-6
- Chemical structure:
This structure is also available as a 2d Mol file - Species with the same structure:
- Other names: Ethylene, 1,1-dichloro-2,2-difluoro-; Genetron 1112a; 1,1-Dichloro-2,2-difluoroethene; 1,1-Dichloro-2,2-difluoroethylene; 1,1-Dichlorodifluoroethylene; 1,1-Difluoro-2,2-dichloroethylene; CF2=CCl2; Genetrone 1112a; CFC 1112a; F 1112a; R 1112a; Ethylene, 1,2-dichloro-1,2-difluoro-
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Reaction thermochemistry data
Go To: Top, Gas phase ion energetics data, Vibrational and/or electronic energy levels, References, Notes
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: CH4O + C2Cl2F2 = C3H4Cl2F2O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -159. ± 2. | kJ/mol | Cm | Kennedy, Lacher, et al., 1969 | gas phase |
ΔrH° | -156. | kJ/mol | Cm | Hine and Rogers, 1968 | gas phase |
By formula: Cl2 + C2Cl2F2 = C2Cl4F2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -171.9 ± 2.3 | kJ/mol | Cm | Lacher, McKinley, et al., 1949 | gas phase; Heat of chlorination at 363 °K |
By formula: 3H2 + C2Cl2F2 = C2H4F2 + 2HCl
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -348.7 | kJ/mol | Chyd | Lacher, Kianpour, et al., 1956 | gas phase; At 410 K |
By formula: H2 + C2Cl2F2 = C2HClF2 + HCl
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -90.21 | kJ/mol | Chyd | Lacher, Kianpour, et al., 1956 | gas phase; At 298 K |
+ = C5H8Cl2F2O
By formula: C3H8O + C2Cl2F2 = C5H8Cl2F2O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -183. ± 1. | kJ/mol | Eqk | Kennedy, Lacher, et al., 1969 | gas phase |
+ = C4H6Cl2F2O
By formula: C2H6O + C2Cl2F2 = C4H6Cl2F2O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -164. ± 3. | kJ/mol | Cm | Kennedy, Lacher, et al., 1969 | gas phase |
+ = C5H8Cl2F2O
By formula: C3H8O + C2Cl2F2 = C5H8Cl2F2O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -164. ± 2. | kJ/mol | Cm | Kennedy, Lacher, et al., 1969 | gas phase |
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:
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) | 9.65 ± 0.03 | eV | N/A | N/A | L |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
9.62 | PE | Cullen, Frost, et al., 1972 | LLK |
9.69 ± 0.01 | S | Scott and Russell, 1971 | LLK |
9.65 | PE | Lake and Thompson, 1970 | RDSH |
9.82 ± 0.02 | EI | Bunzli, Frost, et al., 1976 | Vertical value; LLK |
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 | CC str | 1749 | B | 1749 VS | gas | 1738.8 S | liq. | ||
a1 | 2 | CF str | 1032 | B | 1032 VS | gas | 1027.6 M | liq. | ||
a1 | 3 | CCl str | 622 | C | 622 M | gas | 623.0 S | liq. | ||
a1 | 4 | CF2 scis | 434 | C | 434 | gas | 433.8 VS | liq. | ||
a1 | 5 | CCl2 scis | 258 | C | 258 S | gas | 258 VS | liq. | ||
a2 | 6 | Torsion | 167 | D | 167 VW | liq. | ||||
b1 | 7 | CF str | 1327 | B | 1327 VS | gas | 1313 VW | liq. | ||
b1 | 8 | CCl str | 989 | B | 989 VS | gas | 986 VW | liq. | ||
b1 | 9 | CF2 rock | 459 | C | 459 VW | gas | 454 W | liq. | ||
b1 | 10 | CCl2 rock | 192 | C | 192 | gas | 187.8 W | liq. | ||
b2 | 11 | CF2 wag | 564 | C | 564 S | gas | 560.8 VS | liq. | ||
b2 | 12 | CCl2 wag | 323 | C | 323 W | gas | ||||
Source: Shimanouchi, 1972
Notes
VS | Very strong |
S | Strong |
M | Medium |
W | Weak |
VW | Very weak |
B | 1~3 cm-1 uncertainty |
C | 3~6 cm-1 uncertainty |
D | 6~15 cm-1 uncertainty |
References
Go To: Top, Reaction thermochemistry data, Gas phase ion energetics 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.
Kennedy, Lacher, et al., 1969
Kennedy, M.B.; Lacher, J.R.; Park, J.D.,
Reaction heats of organic compounds. VI. Heats of addition of some alcohols to 1,1-dichloro-2,2-difluoroethylene,
Trans. Faraday Soc., 1969, 65, 1435-1442. [all data]
Hine and Rogers, 1968
Hine, J.; Rogers, F.E.,
Stabilizing interactions between substituents attached to the same saturated carbon atom. Enthalpies of addition of methanol, pyrrolidine, and 1-butanethiol to 1,1-dichloro-2,2-difluoroethylene,
J. Am. Chem. Soc., 1968, 90, 6701-6. [all data]
Lacher, McKinley, et al., 1949
Lacher, J.R.; McKinley, J.J.; Walden, C.; Lea, K.; Park, J.D.,
Reaction heats of organic fluorine compounds. II. The vapor phase heats of chlorination of some simple fluoroolefins,
J. Am. Chem. Soc., 1949, 71, 1334-1337. [all data]
Lacher, Kianpour, et al., 1956
Lacher, J.R.; Kianpour, A.; Oetting, F.; Park, J.D.,
Reaction calorimetry. The hydrogenation of organic fluorides and chlorides,
Trans. Faraday Soc., 1956, 52, 1500-1508. [all data]
Cullen, Frost, et al., 1972
Cullen, W.R.; Frost, D.C.; Leeder, W.R.,
The ultraviolet and photoelectron spectra of some unsaturated fluorocarbon derivatives,
J. Fluorine Chem., 1972, 1, 227. [all data]
Scott and Russell, 1971
Scott, J.D.; Russell, B.R.,
The vacuum ultraviolet absorption spectrum of 1,1-dichloro-2,2-difluoroethylene,
Chem. Phys. Lett., 1971, 9, 375. [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]
Bunzli, Frost, et al., 1976
Bunzli, J.C.; Frost, D.C.; Herring, F.G.; McDowell, C.A.,
Assignment of the doublet states arising from ionization of chlorine lone-pairs in molecules possessing C2v symmetry,
J. Electron Spectrosc. Relat. Phenom., 1976, 9, 289. [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, Reaction thermochemistry data, Gas phase ion energetics data, Vibrational and/or electronic energy levels, References
- Symbols used in this document:
IE (evaluated) Recommended ionization energy ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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