α-Lindane
- Formula: C6H6Cl6
- Molecular weight: 290.830
- IUPAC Standard InChIKey: JLYXXMFPNIAWKQ-SHFUYGGZSA-N
- CAS Registry Number: 319-84-6
- 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. - Stereoisomers:
- Other names: Cyclohexane, 1,2,3,4,5,6-hexachloro-, (1α,2α,3β,4α,5β,6β)-; Cyclohexane, 1,2,3,4,5,6-hexachloro-, α-; α-Benzene hexachloride; α-Hexachloran; α-Hexachlorane; α-Hexachlorcyclohexane; α-Hexachlorocyclohexane; α-HCH; α-1,2,3,4,5,6-Hexachlorcyclohexane; α-1,2,3,4,5,6-Hexachlorocyclohexane; Cyclohexane, 1,2,3,4,5,6-hexachloro-, α-isomer; Benzene hexachloride-α-isomer; Cyclohexane, α-1,2,3,4,5,6-hexachloro-; ENT 9,232; Hexachlorcyclohexan; 1-α,2-α,3-β,4-α,5-β,6-β-Hexachlorocyclohexane; BHC-α isomer; BHC α; α-BHC; HCH-α; (.+/-.)-α-Hexachlorocyclohexane; 1a,2a,3b,4a,5b,6b-Hexachlorocyclohexane; Benzene hexachloride-alpha-isomer; 1,2,3,4,5,6-Hexachlorocyclohexane, (1α,2α,3β,4α,5β,6β)-; (1α,2α,3β,4α,5β,6β)-1,2,3,4,5,6-hexachlorocyclohexane
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Phase change data
Go To: Top, Henry's Law 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 as indicated in comments:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tfus | 430.5 | K | N/A | Plato and Glasgow, 1969 | Uncertainty assigned by TRC = 0.2 K; TRC |
Tfus | 429. | K | N/A | White and Bishop, 1940 | Uncertainty assigned by TRC = 4. K; TRC |
Tfus | 431.2 | K | N/A | Van de Vloed, 1939 | Uncertainty assigned by TRC = 0.7 K; TRC |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
16.4 | 398. | GC | Hinckley, Bidleman, et al., 1990 | Based on data from 343. to 453. K.; AC |
Enthalpy of sublimation
ΔsubH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
22.9 | 328. | A | Stephenson and Malanowski, 1987 | Based on data from 313. to 363. K. See also Jones, 1960.; AC |
22.2 | 334. | TE | Balson, 1947 | Based on data from 324. to 344. K.; AC |
Henry's Law data
Go To: Top, Phase change 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: 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 |
---|---|---|---|
130. | 6500. | X | N/A |
Gas Chromatography
Go To: Top, Phase change data, Henry's Law 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
Kovats' RI, non-polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Packed | OV-1 | 200. | 1681. | Dubsky, Hána, et al., 1979 | Column length: 2. m |
Kovats' RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Packed | SE-30 | 1690. | Ramsey, Lee, et al., 1980 | He, Chromosorb G HP (80-100 mesh); Column length: 1.5 m; Program: not specified |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | OV-1 | 1655. | de Paoli, Taccheo-Barbina, et al., 1991 | 25. m/0.32 mm/0.10 μm, 160. C @ 1. min, 1. K/min; Tend: 240. C |
Capillary | OV-1 | 1657. | de Paoli, Taccheo-Barbina, et al., 1991 | 25. m/0.32 mm/0.10 μm, 160. C @ 1. min, 1. K/min; Tend: 240. C |
Capillary | OV-1 | 1657. | de Paoli, Taccheo-Barbina, et al., 1991 | 25. m/0.32 mm/0.10 μm, 160. C @ 1. min, 1.3 K/min; Tend: 240. C |
Capillary | OV-1 | 1659. | de Paoli, Taccheo-Barbina, et al., 1991 | 25. m/0.32 mm/0.10 μm, 160. C @ 1. min, 1.3 K/min; Tend: 240. C |
Capillary | OV-1 | 1655. | de Paoli, Taccheo-Barbina, et al., 1991 | 25. m/0.32 mm/0.10 μm, 160. C @ 1. min, 1.5 K/min; Tend: 240. C |
Capillary | OV-1 | 1656. | de Paoli, Taccheo-Barbina, et al., 1991 | 25. m/0.32 mm/0.10 μm, 160. C @ 1. min, 1.5 K/min; Tend: 240. C |
Capillary | OV-1 | 1657. | de Paoli, Taccheo-Barbina, et al., 1991 | 25. m/0.32 mm/0.10 μm, 160. C @ 1. min, 2. K/min; Tend: 240. C |
Capillary | OV-1 | 1659. | de Paoli, Taccheo-Barbina, et al., 1991 | 25. m/0.32 mm/0.10 μm, 160. C @ 1. min, 2. K/min; Tend: 240. C |
Normal alkane RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | HP-5 | 1724. | Murayama, Mukai, et al., 2000 | 30. m/0.32 mm/0.25 μm, 50. C @ 1. min, 10. K/min, 300. C @ 4. min |
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | 5 % Phenyl methyl siloxane | 1714. | Department of Food Safety and Welfare, 2006 | 30. m/0.25 mm/0.25 μm, Helium; Program: 50 0C(1 min) 25 0C/min -> 125 0C 10 0C/min -> 300 0C (10 min) |
Capillary | OV-1 | 1645. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
Capillary | OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc. | 1640. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
Capillary | OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc. | 1645. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
Other | Methyl Silicone | 1690. | Ardrey and Moffat, 1981 | Program: not specified |
Normal alkane RI, polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Superox 0.6; Carbowax 20M | 2452. | 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. | 2452. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
Lee's RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | HP5-MS | 289. | Vrana, Paschke, et al., 2005 | 30. m/0.25 mm/0.25 μm, Helium, 50. C @ 5. min, 5. K/min, 280. C @ 10. min |
References
Go To: Top, Phase change data, Henry's Law data, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Plato and Glasgow, 1969
Plato, C.; Glasgow, A.R., Jr.,
Differential scanning calorimetry as a general method for determining the purity and heat of fusion of high-purity organic chemicals. Application to 95 compounds,
Anal. Chem., 1969, 41, 2, 330, https://doi.org/10.1021/ac60271a041
. [all data]
White and Bishop, 1940
White, A.H.; Bishop, W.S.,
Dielectric Evidence of Molecular Rotation in the Crystals of Certain Non-aromatic Compounds,
J. Am. Chem. Soc., 1940, 62, 8-16. [all data]
Van de Vloed, 1939
Van de Vloed, A.,
Bull. Soc. Chim. Belg., 1939, 48, 229. [all data]
Hinckley, Bidleman, et al., 1990
Hinckley, Daniel A.; Bidleman, Terry F.; Foreman, William T.; Tuschall, Jack R.,
Determination of vapor pressures for nonpolar and semipolar organic compounds from gas chromatograhic retention data,
J. Chem. Eng. Data, 1990, 35, 3, 232-237, https://doi.org/10.1021/je00061a003
. [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]
Jones, 1960
Jones, A.H.,
Sublimation Pressure Data for Organic Compounds.,
J. Chem. Eng. Data, 1960, 5, 2, 196-200, https://doi.org/10.1021/je60006a019
. [all data]
Balson, 1947
Balson, E.W.,
Studies in vapour pressure measurement, Part III.?An effusion manometer sensitive to 5 «65533» 10?6 millimetres of mercury: vapour pressure of D.D.T. and other slightly volatile substances,
Trans. Faraday Soc., 1947, 43, 54, https://doi.org/10.1039/tf9474300054
. [all data]
Dubsky, Hána, et al., 1979
Dubsky, H.; Hána, K.; Komárková, M.; Rittich, B.,
Stanoveni residui chlórovanych pesticidu plynovou chromatografii,
Vet. Med. (Prague), 1979, 24, 3, 493-498. [all data]
Ramsey, Lee, et al., 1980
Ramsey, J.D.; Lee, T.D.; Osselton, M.D.; Moffat, A.C.,
Gas-liquid chromatographic retention indices of 296 non-drug substances on SE-30 or OV-1 likely to be encountered in toxicological analyses,
J. Chromatogr., 1980, 184, 2, 185-206, https://doi.org/10.1016/S0021-9673(00)85641-1
. [all data]
de Paoli, Taccheo-Barbina, et al., 1991
de Paoli, M.; Taccheo-Barbina, M.; Bontempelli, G.,
Gas chromatographic system for the identification of halogenated pesticides by retention indices using n-alkanes as standards,
J. Chromatogr., 1991, 547, 355-365, https://doi.org/10.1016/S0021-9673(01)88659-3
. [all data]
Murayama, Mukai, et al., 2000
Murayama, H.; Mukai, H.; Mitobe, H.; Moriyama, N.,
Simple method for determining trace pesticides in air using extraction disks,
Anal. Sci., 2000, 16, 3, 257-263, retrieved from http://wwwsoc.nii.ac.;p/jsac/analsci/pdfs/a160257.pdf, https://doi.org/10.2116/analsci.16.257
. [all data]
Department of Food Safety and Welfare, 2006
Department of Food Safety, Ministry of Health; Welfare,
Analytical methods for residual compositional substances of agricultural chemicals, feed aadditives, and veterinary drugs in foods, 2006, retrieved from http://www.mhlw.go.jp/english/topics/foodsafety/positivelist060228/de/060526-1a.pdf. [all data]
Waggott and Davies, 1984
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]
Ardrey and Moffat, 1981
Ardrey, R.E.; Moffat, A.C.,
Gas-liquid chromatographic retention indices of 1318 substances of toxicological interest on SE-30 or OV-1 stationary phase,
J. Chromatogr., 1981, 220, 3, 195-252, https://doi.org/10.1016/S0021-9673(00)81925-1
. [all data]
Vrana, Paschke, et al., 2005
Vrana, B.; Paschke, H.; Paschke, A.; Popp, P.; Schuurmann, G.,
Performance of semipermeable membrane devices for sampling of organic contaminants in groun water,
J. Envirom. Monit., 2005, 7, 5, 500-508, https://doi.org/10.1039/b411645c
. [all data]
Notes
Go To: Top, Phase change data, Henry's Law data, Gas Chromatography, References
- Symbols used in this document:
Tfus Fusion (melting) point d(ln(kH))/d(1/T) Temperature dependence parameter for Henry's Law constant k°H Henry's Law constant at 298.15K ΔsubH Enthalpy of sublimation ΔvapH Enthalpy of vaporization - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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