Ethane, 1,2-dichloro-
- Formula: C2H4Cl2
- Molecular weight: 98.959
- IUPAC Standard InChIKey: WSLDOOZREJYCGB-UHFFFAOYSA-N
- CAS Registry Number: 107-06-2
- 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: α,β-Dichloroethane; s-Dichloroethane; Brocide; Dutch liquid; Ethylene chloride; Ethylene dichloride; Freon 150; Glycol dichloride; 1,2-Bichloroethane; 1,2-Dichlorethane; 1,2-Dichloroethane; CH2ClCH2Cl; sym-Dichloroethane; Aethylenchlorid; Bichlorure D'ethylene; Borer sol; Chlorure D'ethylene; Cloruro di ethene; 1,2-DCE; Destruxol borer-sol; 1,2-Dichloorethaan; 1,2-Dichlor-aethan; Dichloremulsion; Di-chlor-mulsion; Dichloro-1,2-ethane; 1,2-Dicloroetano; Dutch oil; EDC; ENT 1,656; Ethane dichloride; Ethyleendichloride; 1,2-Ethylene dichloride; NCI-C00511; Rcra waste number U077; UN 1184; DCE; EDC (halocarbon); HCC 150; 1,2-dichloroethane (ethylene dichloride)
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Gas phase thermochemistry data
Go To: Top, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), References, Notes
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 | -31.5 ± 0.84 | kcal/mol | Review | Manion, 2002 | derived from recommended ΔfHliquid° and ΔvapH°; DRB |
ΔfH°gas | -29.98 ± 0.25 | kcal/mol | Chyd | Lacher, Amador, et al., 1967 | Reanalyzed by Cox and Pilcher, 1970, Original value = -30.18 ± 0.25 kcal/mol; At 250 C; ALS |
ΔfH°gas | -30.8 | kcal/mol | Cm | Kirkbride, 1956 | Heat of chlorination; ALS |
Phase change data
Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), References, Notes
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, Chris Muzny director
BS - Robert L. Brown and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos
DRB - Donald R. Burgess, Jr.
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing
CAL - James S. Chickos, William E. Acree, Jr., Joel F. Liebman, Students of Chem 202 (Introduction to the Literature of Chemistry), University of Missouri -- St. Louis
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 356.7 ± 0.6 | K | AVG | N/A | Average of 48 out of 52 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 230. ± 40. | K | AVG | N/A | Average of 9 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 237.6 | K | N/A | Knauth and Sabbah, 1990 | Uncertainty assigned by TRC = 0.3 K; TRC |
Ttriple | 237.2 | K | N/A | Pitzer, 1940 | Crystal phase 1 phase; Uncertainty assigned by TRC = 0.02 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 561.6 | K | N/A | Garcia-Sanchez and Trejo Rodriguez, 1985 | Uncertainty assigned by TRC = 0.4 K; TRC |
Tc | 561.2 | K | N/A | Majer and Svoboda, 1985 | |
Tc | 563.15 | K | N/A | Hojendahl, 1946 | Uncertainty assigned by TRC = 3. K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Pc | 53.10 | atm | N/A | Garcia-Sanchez and Trejo Rodriguez, 1985 | Uncertainty assigned by TRC = 0.49 atm; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ρc | 4.45 | mol/l | N/A | Hojendahl, 1946 | Uncertainty assigned by TRC = 0.15 mol/l; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 8.4 ± 0.1 | kcal/mol | AVG | N/A | Average of 8 values; Individual data points |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
7.643 | 356.6 | N/A | Majer and Svoboda, 1985 | |
7.43 | 371. | A | Stephenson and Malanowski, 1987 | Based on data from 356. to 558. K.; AC |
8.32 | 294. | A | Stephenson and Malanowski, 1987 | Based on data from 279. to 374. K.; AC |
7.43 | 383. | A | Stephenson and Malanowski, 1987 | Based on data from 368. to 524. K.; AC |
9.75 | 538. | A | Stephenson and Malanowski, 1987 | Based on data from 523. to 561. K.; AC |
8.32 | 294. | N/A | Stephenson and Malanowski, 1987 | Based on data from 279. to 434. K. See also Dykyj, 1970.; AC |
8.29 | 316. | N/A | Gutsche and Knapp, 1982 | Based on data from 301. to 357. K.; AC |
8.105 | 273. | V | Gallaugher and Hibbert, 1937 | ALS |
8.96 | 258. | N/A | Pearce and Peters, 1928 | Based on data from 243. to 372. K.; AC |
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (atm)
T = temperature (K)
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Temperature (K) | A | B | C | Reference | Comment |
---|---|---|---|---|---|
242.33 to 372.6 | 4.57947 | 1521.789 | -24.67 | Pearce and Peters, 1929 | Coefficents calculated by NIST from author's data. |
Enthalpy of fusion
ΔfusH (kcal/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
2.1120 | 237.2 | Pitzer, 1940, 2 | DH |
2.11 | 237.2 | Domalski and Hearing, 1996 | AC |
Entropy of fusion
ΔfusS (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
8.903 | 237.2 | Pitzer, 1940, 2 | DH |
Entropy of fusion
ΔfusS (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
3.87 | 237.2 | Domalski and Hearing, 1996 | CAL |
8.80 | 175. |
Enthalpy of phase transition
ΔHtrs (kcal/mol) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
0.6800 | 175. | crystaline, II | Railing, 1939 | DH | |
2.090 | 237.6 | crystaline, I | liquid | Railing, 1939 | DH |
Entropy of phase transition
ΔStrs (cal/mol*K) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
3.87 | 175. | crystaline, II, Lambda | , type transition | Railing, 1939 | DH |
8.80 | 237.6 | crystaline, I | liquid | Railing, 1939 | DH |
Gas phase ion energetics data
Go To: Top, Gas phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), References, Notes
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) | 11.07 ± 0.04 | eV | N/A | N/A | L |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
11.05 | PI | Berman, Anicich, et al., 1979 | LLK |
11.04 | PE | Berman, Anicich, et al., 1979 | LLK |
11.12 ± 0.05 | PI | Watanabe, Nakayama, et al., 1962 | RDSH |
11.40 ± 0.10 | PE | Gan, Peel, et al., 1977 | Vertical value; Trans conformer; LLK |
11.22 ± 0.02 | PE | Chau and McDowell, 1975 | Vertical value; LLK |
11.39 ± 0.03 | PE | Raymonda, Edwards, et al., 1974 | Vertical value; LLK |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
CH2Cl+ | 12.5 ± 0.1 | CH2Cl | EI | Harrison and Shannon, 1962 | RDSH |
C2H3Cl+ | 11.1 | ? | PI | Berman, Anicich, et al., 1979 | LLK |
Mass spectrum (electron ionization)
Go To: Top, Gas phase thermochemistry data, Phase change data, Gas phase ion energetics data, 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: 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. |
---|---|
Origin | NIST Mass Spectrometry Data Center, 1990. |
NIST MS number | 114952 |
References
Go To: Top, Gas phase thermochemistry data, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), 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]
Lacher, Amador, et al., 1967
Lacher, J.R.; Amador, A.; Park, J.D.,
Reaction heats of organic compounds. Part 5.-Heats of hydrogenation of dichloromethane, 1,1- and 1,2-dichloroethane and 1,2-dichloropropane,
Trans. Faraday Soc., 1967, 63, 1608-1611. [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]
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]
Knauth and Sabbah, 1990
Knauth, P.; Sabbah, R.,
Development and applications of a low-temperature differential thermal analyzer (77 < T, K < 330),
J. Therm. Anal., 1990, 36, 969-77. [all data]
Pitzer, 1940
Pitzer, K.S.,
The Heat Capacities, Heats of Transition and Fusion, and Entropies of Ethylene Dichloride and Ethylene Dibromide,
J. Am. Chem. Soc., 1940, 62, 331-5. [all data]
Garcia-Sanchez and Trejo Rodriguez, 1985
Garcia-Sanchez, F.; Trejo Rodriguez, A.,
Vapour pressure and critical constants of 1,2-dichloroethane,
J. Chem. Thermodyn., 1985, 17, 981. [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]
Hojendahl, 1946
Hojendahl, K.,
Dielectric Constant, Viscosity, Surface Tension, and Critical Data of Boron Tribromide, Dioxane, and Ethylene Dichloride,
Mat.-Fys. Medd. - K. Dan. Vidensk. Selsk., 1946, 24, 1. [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]
Gutsche and Knapp, 1982
Gutsche, Bernhard; Knapp, Helmut,
Isothermal measurements of vapor-liquid equilibria for three n-alkane-chloroalkane mixtures,
Fluid Phase Equilibria, 1982, 8, 3, 285-300, https://doi.org/10.1016/0378-3812(82)80040-X
. [all data]
Gallaugher and Hibbert, 1937
Gallaugher, A.F.; Hibbert, H.,
Studies on reactions relating to carbohydrates and polysaccharides. LV. Vapor pressures of the polyethylene glycols and their derivatives,
J. Am. Chem. Soc., 1937, 59, 2521-2525. [all data]
Pearce and Peters, 1928
Pearce, J.N.; Peters, P.E.,
The Vapor Pressure of Ethylene Chloride between--30° and 100°,
J. Phys. Chem., 1928, 33, 6, 873-878, https://doi.org/10.1021/j150300a006
. [all data]
Pearce and Peters, 1929
Pearce, J.N.; Peters, P.E.,
The Vapor Pressure of Ethylene Chloride Between -30° and 100°,
J. Phys. Chem., 1929, 33, 6, 873-878, https://doi.org/10.1021/j150300a006
. [all data]
Pitzer, 1940, 2
Pitzer, K.S.,
The heat capacities, heats of transition and fusion, and entropies of ethylene dichloride and ethylene dibromide,
J. Am. Chem. Soc., 1940, 62, 331-335. [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]
Railing, 1939
Railing, W.E.,
The specific heat of some ethylene halides,
J. Am. Chem. Soc., 1939, 61, 3349-3353. [all data]
Berman, Anicich, et al., 1979
Berman, D.W.; Anicich, V.; Beauchamp, J.L.,
Stabilities of isomeric halonium ions C2H4X+ (X = Cl, Br) by photoionization mass spectrometry iand on cyclotron resonance spectroscopy. General considerations of the relative stabilities of cyclic and acyclic isomeric onium ions,
J. Am. Chem. Soc., 1979, 101, 1239. [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]
Gan, Peel, et al., 1977
Gan, T.H.; Peel, J.B.; Willett, G.D.,
Photoelectron spectra of the gauche and trans conformers of 1,2-dichloroethane,
J. Chem. Soc. Faraday Trans. 2, 1977, 73, 965. [all data]
Chau and McDowell, 1975
Chau, F.T.; McDowell, C.A.,
Photoelectron spectra of 1,2 dichloro-, 1,2 dibromo- and 1,2 diiodo-ethane,
J. Electron Spectrosc. Relat. Phenom., 1975, 6, 365. [all data]
Raymonda, Edwards, et al., 1974
Raymonda, J.W.; Edwards, L.O.; Russell, B.R.,
Vacuum ultraviolet absorption spectra of some chloroalkanes,
J. Am. Chem. Soc., 1974, 96, 1708. [all data]
Harrison and Shannon, 1962
Harrison, A.G.; Shannon, T.W.,
An electron impact study of chloromethyl and dichloromethyl derivatives,
Can. J. Chem., 1962, 40, 1730. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), References
- Symbols used in this document:
AE Appearance energy IE (evaluated) Recommended ionization energy Pc Critical pressure Tboil Boiling point Tc Critical temperature Tfus Fusion (melting) point Ttriple Triple point temperature ΔHtrs Enthalpy of phase transition ΔStrs Entropy of phase transition ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfusH Enthalpy of fusion ΔfusS Entropy of fusion ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization at standard conditions ρc Critical density - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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