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 ion energetics data
Go To: Top, Mass spectrum (electron ionization), Gas Chromatography, 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 ion energetics data, Gas Chromatography, 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 |
Gas Chromatography
Go To: Top, 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 by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Kovats' RI, non-polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | HP-1 | 0. | 645.4 | Wang, Liu, et al., 2005 | 30. m/0.25 mm/0.25 μm |
Capillary | HP-1 | 10. | 648.2 | Wang, Liu, et al., 2005 | 30. m/0.25 mm/0.25 μm |
Capillary | HP-1 | 20. | 656.2 | Wang, Liu, et al., 2005 | 30. m/0.25 mm/0.25 μm |
Capillary | HP-1 | 30. | 654. | Wang, Liu, et al., 2005 | 30. m/0.25 mm/0.25 μm |
Capillary | HP-1 | 40. | 650.1 | Wang, Liu, et al., 2005 | 30. m/0.25 mm/0.25 μm |
Capillary | HP-1 | 50. | 647.7 | Wang, Liu, et al., 2005 | 30. m/0.25 mm/0.25 μm |
Capillary | HP-1 | 60. | 644.8 | Wang, Liu, et al., 2005 | 30. m/0.25 mm/0.25 μm |
Capillary | OV-1 | 70. | 632. | Annino and Villalobos, 1999 | 22.6 m/0.53 mm/2.78 μm |
Capillary | DB-1 | 60. | 630. | Dewulf, Van Langenhove, et al., 1997 | 30. m/0.53 mm/5.0 μm, He |
Capillary | OV-1 | 50. | 632. | Villalobos, 1995 | 30. m/0.32 mm/0.96 μm |
Packed | OV-1 | 100. | 638. | Castello and Gerbino, 1988 | He, Chromosorb W DMCS; Column length: 3. m |
Packed | OV-1 | 125. | 641. | Castello and Gerbino, 1988 | He, Chromosorb W DMCS; Column length: 3. m |
Packed | OV-1 | 75. | 633. | Castello and Gerbino, 1988 | He, Chromosorb W DMCS; Column length: 3. m |
Packed | SE-30 | 150. | 645. | Tiess, 1984 | Ar, Gas Chrom Q (80-100 mesh); Column length: 3. m |
Packed | SE-30 | 100. | 640. | Winskowski, 1983 | Gaschrom Q; Column length: 2. m |
Kovats' RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | CBP-1 | 629. | Shimadzu, 2003 | 25. m/0.2 mm/0.25 μm, He, 50. C @ 5. min, 4. K/min; Tend: 200. C |
Capillary | SE-54 | 641. | Rembold, Wallner, et al., 1989 | 30. m/0.25 mm/0.25 μm, He, 0. C @ 12. min, 12. K/min; Tend: 250. C |
Kovats' RI, polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | Carbowax 20M | 70. | 1085. | Annino and Villalobos, 1999 | 31.3 m/0.53 mm/0.54 μm |
Capillary | Carbowax 20M | 50. | 1090. | Villalobos, 1995 | 30. m/0.32 mm/0.54 μm, He |
Capillary | Supelcowax-10 | 60. | 1080. | Castello, Vezzani, et al., 1991 | N2; Column length: 60. m; Column diameter: 0.75 mm |
Packed | SP-1000 | 100. | 1084.2 | Castello and Gerbino, 1988 | He, Chromosorb W DMCS; Column length: 3. m |
Packed | SP-1000 | 125. | 1084.96 | Castello and Gerbino, 1988 | He, Chromosorb W DMCS; Column length: 3. m |
Packed | SP-1000 | 75. | 1077.64 | Castello and Gerbino, 1988 | He, Chromosorb W DMCS; Column length: 3. m |
Packed | Carbowax 20M | 75. | 1076. | Goebel, 1982 | N2, Kieselgur (60-100 mesh); Column length: 2. m |
Kovats' RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | CBP-20 | 1072. | Shimadzu, 2003 | 25. m/0.2 mm/0.25 μm, He, 50. C @ 5. min, 4. K/min; Tend: 200. C |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Petrocol DH | 620. | White, Hackett, et al., 1992 | 100. m/0.25 mm/0.5 μm, He, 1. K/min; Tstart: 30. C; Tend: 220. C |
Capillary | SE-54 | 641. | Weber, 1986 | 25. m/0.31 mm/0.17 μm, H2, 2. K/min; Tstart: 35. C |
Capillary | SE-54 | 643. | Weber, 1986 | 25. m/0.31 mm/0.17 μm, H2, 2. K/min; Tstart: 35. C |
Capillary | SE-54 | 648. | Weber, 1986 | 25. m/0.31 mm/0.17 μm, H2, 2. K/min; Tstart: 35. C |
Packed | OV-101 | 660.0 | Zilka and Matucha, 1978 | Ar, Supelcoport, 8. K/min; Column length: 2. m; Tstart: 40. C |
Packed | SE-30 | 628.6 | Zilka and Matucha, 1978 | Ar, Chromaton N-AW-DMCS, 8. K/min; Column length: 2. m; Tstart: 40. C |
Normal alkane RI, non-polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | Methyl Silicone | 60. | 606. | Cao and Zhang, 2006 | Column length: 50. m; Column diameter: 0.25 mm |
Capillary | Methyl Silicone | 70. | 607. | Cao and Zhang, 2006 | Column length: 50. m; Column diameter: 0.25 mm |
Capillary | Methyl Silicone | 80. | 610. | Cao and Zhang, 2006 | Column length: 50. m; Column diameter: 0.25 mm |
Capillary | DB-1 | 60. | 632. | Shimadzu, 2003, 2 | 60. m/0.32 mm/1. μm, He |
Packed | Synachrom | 150. | 586. | Dufka, Malinsky, et al., 1971 | Helium, Synachrom (60-80 mesh); Column length: 1.5 m |
Packed | Synachrom | 150. | 595. | Dufka, Malinsky, et al., 1971 | Helium, Synachrom (60-80 mesh); Column length: 1.5 m |
Normal alkane RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Petrocol DH | 621. | Supelco, 2012 | 100. m/0.25 mm/0.50 μm, Helium, 20. C @ 15. min, 15. K/min, 220. C @ 30. min |
Capillary | BP-1 | 627. | Health Safety Executive, 2000 | 50. m/0.22 mm/0.75 μm, He, 5. K/min; Tstart: 50. C; Tend: 200. C |
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Polydimethyl siloxanes | 632. | Zenkevich, Eliseenkov, et al., 2006 | Program: not specified |
Capillary | Polydimethyl siloxanes | 632. | Zenkevich, 2003 | Program: not specified |
Capillary | Methyl Silicone | 632. | Zenkevich, 2001 | Program: not specified |
Capillary | Methyl Silicone | 633. | Zenkevich, 1998 | Program: not specified |
Capillary | SPB-1 | 630. | Flanagan, Streete, et al., 1997 | 60. m/0.53 mm/5. μm, He; Program: 40C(6min) => 5C/min => 80C => 10C/min => 200C |
Capillary | Polydimethyl siloxanes | 632. | Zenkevich, Chupalov, et al., 1996 | Program: not specified |
Capillary | Polydimethyl siloxanes | 632. | Zenkevich and Chupalov, 1996 | Program: not specified |
Capillary | DB-5 | 673. | Sorimachi, Tanabe, et al., 1995 | He; Column length: 30. m; Program: not specified |
Capillary | SPB-1 | 630. | Strete, Ruprah, et al., 1992 | 60. m/0.53 mm/5.0 μm, Helium; Program: 40 0C (6 min) 5 0C/min -> 80 0C 10 0C/min -> 200 0C |
Capillary | SPB-1 | 631. | Strete, Ruprah, et al., 1992 | 60. m/0.53 mm/5.0 μm, Helium; Program: not specified |
Capillary | CP Sil 8 CB | 649. | Weller and Wolf, 1989 | 40. m/0.25 mm/0.25 μm, He; Program: 30 0C (1 min) 15 0C/min -> 45 0C 3 0C/min -> 120 0C |
Capillary | OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc. | 632. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
Capillary | OV-1 | 631. | Ramsey and Flanagan, 1982 | Program: not specified |
Capillary | SE-30 | 623. | Heydanek and McGorrin, 1981 | He; Column length: 50. m; Column diameter: 0.5 mm; Program: -10C (8min) => 12C/min => 26C => 3C/min => 170C (30min) |
Packed | Apiezon L | 649.3 | Keiko, Prokop'ev, et al., 1972 | Program: not specified |
Packed | Squalane | 635.5 | Keiko, Prokop'ev, et al., 1972 | Program: not specified |
Normal alkane RI, polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | DB-Wax | 60. | 1093. | Shimadzu, 2003, 2 | 50. m/0.32 mm/1. μm, He |
Normal alkane RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-Wax | 1088. | Shimadzu, 2012 | 30. m/0.32 mm/0.50 μm, Helium, 4. K/min; Tstart: 40. C; Tend: 260. C |
Capillary | DB-Wax | 1088. | Shimadzu Corporation, 2003 | 30. m/0.32 mm/0.5 μm, He, 4. K/min; Tstart: 40. C; Tend: 260. C |
Packed | Carbowax 20M-TPA | 1065. | Szymanowski, Kusz, et al., 1990 | Chromosorb W AW DMCS, 100. C @ 1. min, 5. K/min; Column length: 1.6 m; Tend: 220. C |
Packed | Carbowax 20M-TPA | 1065. | Szymanowski, Kusz, et al., 1989 | Ar, Chromosorb W AW DMCS, 100. C @ 1. min, 5. K/min; Column length: 1.6 m; Tend: 220. C |
Normal alkane RI, polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Superox 0.6; Carbowax 20M | 1045. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
Capillary | Carbowax 400, Carbowax 20M, Carbowax 1540, Carbowax 4000, Superox 06, PEG 20M, etc. | 1045. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
Capillary | Carbowax 20M | 1051. | Ramsey and Flanagan, 1982 | Program: not specified |
References
Go To: Top, Gas phase ion energetics data, Mass spectrum (electron ionization), Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
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,
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Raymonda, Edwards, et al., 1974
Raymonda, J.W.; Edwards, L.O.; Russell, B.R.,
Vacuum ultraviolet absorption spectra of some chloroalkanes,
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Harrison and Shannon, 1962
Harrison, A.G.; Shannon, T.W.,
An electron impact study of chloromethyl and dichloromethyl derivatives,
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Wang, Liu, et al., 2005
Wang, Y.; Liu, J.; Li, N.; Shi, G.; Jiang, G.; Ma, W.,
Preliminary study of the retention behavior for different compounds using cryogenic chromatography at different initial temperatures,
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Annino and Villalobos, 1999
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A strategy for the simplification and solution of complex chromatographic analysis problems utilizing two-dimensional mapping of retention indexes followed by computer modeling of heart cuts from serially coupled columns containing different stationary phases,
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Dewulf, Van Langenhove, et al., 1997
Dewulf, J.; Van Langenhove, H.; Everaert, M.,
Solid-phase microextraction of volatile organic compounds estimation of the sorption equilibrium from the Kováts index, effect of salinity and humic acids and the study of the kinetics by the development of an agitated/static layer model,
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Villalobos, 1995
Villalobos, R.,
A window diagram for key component analysis in on-line gas chromatography,
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Effect of Temperature on the Gas Chromatographic Separation of Halogenated Compounds on Polar and Non-Polar Stationary Phases,
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Tiess, 1984
Tiess, D.,
Gaschromatographische Retentionsindices von 125 leicht- bis mittelflüchtigen organischen Substanzen toxikologisch-analytischer Relevanz auf SE-30,
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Winskowski, 1983
Winskowski, J.,
Gaschromatographische Identifizierung von Stoffen anhand von Indexziffem und unterschiedlichen Detektoren,
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Shimadzu, 2003
Shimadzu,
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Rembold, Wallner, et al., 1989
Rembold, H.; Wallner, P.; Nitz, S.; Kollmannsberger, H.; Drawert, F.,
Volatile components of chickpea (Cicer arietinum L.) seed,
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Gas chromatographic separation and automatic identification of complex mixtures of organic solvents in indrustrial wates,
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Gaschromatographische Identifizierung Niedrig Siedender Substanzen Mittels Retentionsindices und Rechnerhilfe,
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Linear temperature programmed retention indices of gasoline range hydrocarbons and chlorinated hydrocarbons on cross-linked polydimethylsiloxane,
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Gas chromatographic analysis of chlorinated ethanes,
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Cao, J.; Zhang, H.,
Inquire into qualitative analysis of epoxyalkyl isomeride,
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Reciprocally Unambiguous Conformity Between GC Retention Indices and Boiling Points within Two- and Multidimensional Taxonomic Groups of Organic Compounds,
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Zenkevich, Chupalov, et al., 1996
Zenkevich, I.G.; Chupalov, A.A.; Herzschuh, R.,
Correlation of the Increments of Gas Chromatographic Retention Indices with the Differences of Innermolecular Energies of Reagents and Products of Chemical Reactions,
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Sorimachi, Tanabe, et al., 1995
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Weller, J.-P.; Wolf, M.,
Massenspektroskopie und Headspace-GC,
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Waggott, A.; Davies, I.W.,
Identification of organic pollutants using linear temperature programmed retention indices (LTPRIs) - Part II, 1984, retrieved from http://dwi.defra.gov.uk/research/completed-research/reports/dwi0383.pdf. [all data]
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Ramsey, J.D.; Flanagan, R.J.,
Detection and Identification of Volatile Organic Compounds in Blood by Headspace Gas Chromatography as an Aid to the Diagnosis of Solvent Abuse,
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Heydanek, M.G.; McGorrin, R.J.,
Gas chromatography-mass spectroscopy investigations on the flavor chemistry of oat groats,
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Keiko, Prokop'ev, et al., 1972
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Notes
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- Symbols used in this document:
AE Appearance energy IE (evaluated) Recommended ionization energy - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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