Aldrin
- Formula: C12H8Cl6
- Molecular weight: 364.910
- IUPAC Standard InChIKey: QBYJBZPUGVGKQQ-SJJAEHHWSA-N
- CAS Registry Number: 309-00-2
- 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. - Stereoisomers:
- Other names: 1,4:5,8-Dimethanonaphthalene, 1,2,3,4,10,10-hexachloro-1,4,4a,5,8,8a-hexahydro-, (1α,4α,4aβ,5α,8α,8aβ)-; 1,2,3,4,10,10-Hexachloro-1,4,4a,5,8,8a-Hexahydro-1,4-endo-exo-5,8-dimethanonaphthalene; Kortofin; Aldrin-R; 1,4:5,8-Dimethanonaphthalene, 1,2,3,4,10,10-hexachloro-1,4,4a,5,8,8a-hexahydro-, endo,exo-; Aldocit; Compound 118; ENT 15,949; HHDN; Octalene; Seedrin; SD 2794; Tatuzinho; Tipula; (1R,4S,4aS,5S,8R,8aR)-1,2,3,4,10,10-hexachloro-1,4,4a,5,8,8a-hexahydro-1,4:5,8-dimethanonaphthalene; Aldrex; Aldrite; Aldrosol; Drinox; Hexachlorohexahydro-endo, exo-dimethanonaphthalene; NCI-C00044; 1,2,3,4,10,10-Hexachloro-1,4,4a,5,8,8a-hexahydro-endo-exo-1,4:5,8-dimethanonaphthalene; 1,2,3,4,10,10-Hexachloro-1,4,4a,5,8,8a-hexahydro-endo-1,4-exo-5,8-dimethanonaphthalene; 1,2,3,4,10,10-Hexachloro-1,4,4a,5,8,8a-hexahydro-exo-1,4-endo-5,8-dimethanonaphthalene; 1,2,3,4,10,10-Hexachloro-1,4,4a,5,8,8a-hexahydro-1,4:5,8-dimethanonaphthalene, endo,exo-; Aldrex 40; 1,2,3,4,10,10-Hexachloro-1α,4α,4aβ,5α,8α,8aβ-hexahydro1,4:5,8-dimethanonaphthalene; Aldrin Dust; Aldron; Algran; HHPN; OMS-194; Aldrine; 1,2,3,4,10,10-Hexachloro-1,4,4a,5,8,8a-hexahydro-endo-exo-1,4:5,8-dimethylnaphthalene (aldrin)
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Phase change data
Go To: Top, 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 | 372. | K | N/A | Plato, 1972 | Crystal phase 1 phase; Uncertainty assigned by TRC = 1. K; TRC |
Tfus | 377.0 | K | N/A | Plato and Glasgow, 1969 | Uncertainty assigned by TRC = 0.2 K; TRC |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
17.9 | 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 |
---|---|---|---|---|
21.9 | 326. | GS | Grayson and Fosbraey, 2006 | Based on data from 309. to 343. K.; AC |
Enthalpy of fusion
ΔfusH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
0.992 | 562.4 | DSC | Ksia«807»azczak and Nagata, 1995 | AC |
Gas Chromatography
Go To: Top, Phase change 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 |
---|---|---|---|---|---|
Capillary | OV-1 | 190. | 1953. | Erdmann, Rochholz, et al., 1992 | |
Capillary | OV-1 | 220. | 1987. | Erdmann, Rochholz, et al., 1992 | |
Packed | OV-1 | 200. | 1959. | 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 | 1950. | 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 | 1925. | 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 | 1928. | 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 | 1929. | 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 | 1933. | 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 | 1926. | 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 | 1928. | 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 | 1930. | 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 | 1933. | 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 | SP-2100 | 1932.18 | Podmaniczky, Szepesy, et al., 1986 | H2, 2. K/min; Tstart: 170. C |
Capillary | SP-2100 | 1939.62 | Podmaniczky, Szepesy, et al., 1986 | H2, 4. K/min; Tstart: 170. C |
Capillary | SP-2100 | 1948.72 | Podmaniczky, Szepesy, et al., 1986 | H2, 6. K/min; Tstart: 170. C |
Capillary | SP-2100 | 1946.47 | Podmaniczky, Szepesy, et al., 1986 | H2, 2. K/min; Tstart: 170. C |
Capillary | SP-2100 | 1950.51 | Podmaniczky, Szepesy, et al., 1986 | H2, 4. K/min; Tstart: 170. C |
Capillary | SP-2100 | 1959.90 | Podmaniczky, Szepesy, et al., 1986 | H2, 6. K/min; Tstart: 170. C |
Capillary | CP Sil 5 CB | 1961.08 | Podmaniczky, Szepesy, et al., 1986 | H2, 4. K/min; Tstart: 170. C |
Packed | SE-30 | 1940. | Perrigo and Peel, 1981 | N2, Chromosorb W, 130. C @ 2. min, 8. K/min, 290. C @ 8. min; Column length: 1.8 m |
Normal alkane RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Packed | OV-1 | 1990. | Marozzi, Gambaro, et al., 1982 | Gas Chrom P, 2.5 K/min; Column length: 2. m; Tstart: 120. C; Tend: 200. C |
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | 5 % Phenyl methyl siloxane | 1998. | 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 | 5 % Phenyl methyl siloxane | 1993. | 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 | Polydimethyl siloxanes | 1943. | Schutz and Wollrab A., 1988 | Program: not specified |
Capillary | OV-1 | 1946. | 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. | 1950. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
Other | Methyl Silicone | 1943. | Ardrey and Moffat, 1981 | Program: not specified |
Normal alkane RI, polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Carbowax 20M | 2502. | Tameo and Kiyos, 1991 | Program: not specified |
Capillary | Superox 0.6; Carbowax 20M | 2536. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
Capillary | Superox 0.6; Carbowax 20M | 2537. | 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. | 2536. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
References
Go To: Top, Phase change 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, 1972
Plato, C.,
DSC as a general method for determining purity and heat of fusion of high-purity organic chemicals,
Anal. Chem., 1972, 44, 1531. [all data]
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]
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]
Grayson and Fosbraey, 2006
Grayson, B. Terence; Fosbraey, Lynda A.,
Determination of the vapour pressure of pesticides,
Pestic. Sci., 2006, 13, 3, 269-278, https://doi.org/10.1002/ps.2780130308
. [all data]
Ksia«807»azczak and Nagata, 1995
Ksia«807»azczak, A.; Nagata, I.,
Crystal-plastic and plastic-liquid phase transitions, and purity determination,
Thermochimica Acta, 1995, 254, 31-39, https://doi.org/10.1016/0040-6031(94)02032-J
. [all data]
Erdmann, Rochholz, et al., 1992
Erdmann, F.; Rochholz, G.; Schütz, H.,
Retention-indices on OV-1 of approximately 170 commonly used pesticides,
Mikrochim. Acta, 1992, 106, 3-6, 219-226, https://doi.org/10.1007/BF01242093
. [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]
Podmaniczky, Szepesy, et al., 1986
Podmaniczky, L.; Szepesy, L.; Lakszner, K.; Schomburg, G.,
Determination of Retention Indices in LPTGC,
Chromatographia, 1986, 21, 7, 387-391, https://doi.org/10.1007/BF02346137
. [all data]
Perrigo and Peel, 1981
Perrigo, B.J.; Peel, H.W.,
The use of retention indices and temperature-programmed gas chromatography in analytical toxicology,
J. Chromatogr. Sci., 1981, 19, 5, 219-226, https://doi.org/10.1093/chromsci/19.5.219
. [all data]
Marozzi, Gambaro, et al., 1982
Marozzi, E.; Gambaro, V.; Saligari, E.; Mariani, R.; Lodi, F.,
Use of the retention index in gas chromatographic studies of drugs,
J. Anal. Toxicol., 1982, 6, 4, 185-192, https://doi.org/10.1093/jat/6.4.185
. [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]
Schutz and Wollrab A., 1988
Schutz, H.; Wollrab A.,
The significance of the retention index in toxicologic analysis II,
Pharmazie in unzerer Zeit, 1988, 17, 4, 97-101. [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]
Tameo and Kiyos, 1991
Tameo, O.; Kiyos, I.,
Simultaneous determination of pesticides by capillary gas chromatography,
Cannot be traslated (in Japan), 1991, 14, 2, 109-122. [all data]
Notes
Go To: Top, Phase change data, Gas Chromatography, References
- Symbols used in this document:
Tfus Fusion (melting) point ΔfusH Enthalpy of fusion ΔsubH Enthalpy of sublimation ΔvapH Enthalpy of vaporization - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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