p,p'-DDT

• Formula: C₁₄H₉Cl₅
• Molecular weight: 354.486
• IUPAC Standard InChI: InChI=1S/C14H9Cl5/c15-11-5-1-9(2-6-11)13(14(17,18)19)10-3-7-12(16)8-4-10/h1-8,13H Copy

  
• IUPAC Standard InChIKey: YVGGHNCTFXOJCH-UHFFFAOYSA-N Copy
• CAS Registry Number: 50-29-3
• 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: Benzene, 1,1'-(2,2,2-trichloroethylidene)bis[4-chloro-; Chlorophenothane; α,α-Bis(p-chlorophenyl)-β,β,β-trichlorethane; p,p'-Dichlorodiphenyltrichloroethane; Aavero-extra; Agritan; Arkotine; Azotox; Azotox M-33; Bosan supra; Bovidermol; Chlorphenothan; Chlorphenotoxum; Citox; Clofenotan; Clofenotane; Deoval; Detox; Detoxan; Dibovin; Dicophane; Dodat; Dykol; DDT; Estonate; Ethane, 1,1,1-Trichloro-2,2-bis(p-chlorophenyl)-; Ethane, 1,1,1-trichloro-2,2-bis(4-chlorophenyl)-; ENT-1506; Gesafid; Gesarol; Ivoran; Mutoxan; Neocid; Neocidol, Solid; Parachlorocidum; Pentachlorin; Penticidum; PEB1; Trichlorobis(4'-Chlorophenyl)ethane; Zerdane; 1,1,1-Trichloro-2,2-bis(p-chlorophenyl)ethane; 1,1,1-Trichloro-2,2-bis(4,4'-dichlorodiphenyl)ethane; 2,2-Bis(p-chlorophenyl)-1,1,1-trichloroethane; 4,4'-Dichlorodiphenyltrichloroethane; 4,4'-DDT; 1,1-Bis(4-chlorophenyl)-2,2,2-trichloroethane; 1,1,1-trichloro-2-2-bis(4-chlorophenyl)ethane; Anofex; Didigam; Didimac; Genitox; Guesarol; Gyron; Ixodex; Kopsol; Neocidol; NCI-C00464; Pentech; pPzeidan; Rukseam; Santobane; Tafidex; Trichlorobis(4-chlorophenyl)ethane; Zeidane; 1,1,1-Trichloor-2,2-bis(4-chloor fenyl)-ethaan; 1,1,1-Trichlor-2,2-bis(4-chlor-phenyl)-aethan; 1,1,1-Trichloro-2,2-di(4-chlorophenyl)ethane; 1,1,1-Tricloro-2,2-bis(4-cloro-fenil)-etano; Chlorophenothan; Chlorophenotoxum; Dedelo; Dibovan; ENT 1,506; Gesapon; Gesarex; Guesapon; Havero-extra; Hildit; Micro DDT 75; Mutoxin; OMS 16; R50; RCRA Waste number U061; Penticide; 2,2,2-Trichloro-1,1-bis(4-chlorophenyl)ethane; p,p'-Dichlorodiphenyltrichloromethylmethane; 1,1'-(2,2,2,-Trichloroethylidene)bis[4-chlorobenzene]; Geusapon; 1,1-bis(p-Chlorophenyl)-2,2,2-trichIoroethane; DDT(p,p'); Dicophaner; Benzochloryl; p,p-DDT; 1,1,1-Trichloro-2,2-bis(4-chlorophenyl)ethane (pp'DDT)
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• Information on this page:
  • Henry's Law data
  • IR Spectrum
  • Gas Chromatography
  • References
  • Notes
• Other data available:
  • Phase change data
  • Mass spectrum (electron ionization)
  • UV/Visible spectrum
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Henry's Law 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 compiled by: Rolf Sander

Henry's Law constant (water solution)

k_H(T) = k°_H exp(d(ln(k_H))/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(k_H))/d(1/T) = Temperature dependence constant (K)

IR Spectrum

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Data compiled by: Coblentz Society, Inc.

• SOLUTION (10% IN CCl4 FOR 3800-1330, 10% IN CS2 FOR 1330-450 CM^-1); DOW KBr FOREPRISM-GRATING; DIGITIZED BY NIST FROM HARD COPY (FROM TWO SEGMENTS); 4 cm^-1 resolution

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

• gas; HP-GC/MS/IRD

Gas Chromatography

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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: NIST Mass Spectrometry Data Center, William E. Wallace, director

Kovats' RI, non-polar column, isothermal

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Kovats' RI, non-polar column, custom temperature program

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Van Den Dool and Kratz RI, non-polar column, temperature ramp

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Normal alkane RI, non-polar column, custom temperature program

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Normal alkane RI, polar column, custom temperature program

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References

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

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]

Heinzen and Yunes, 1992
Heinzen, V.E.F.; Yunes, R.A., Relationship between gas chromatographic retention indices and molecular connectivity indices of chlorinated pesticides and structurally related compounds, J. Chromatogr., 1992, 598, 2, 243-250, https://doi.org/10.1016/0021-9673(92)85054-W . [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]

Osselton and Snelling, 1986
Osselton, M.D.; Snelling, R.D., Chromatographic Identification of Pesticides, J. Chromatogr., 1986, 368, 265-271, https://doi.org/10.1016/S0021-9673(00)91068-9 . [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]

Gautzsch and Zinn, 1996
Gautzsch, R.; Zinn, P., Use of incremental models to estimate the retention indexes of aromatic compounds, Chromatographia, 1996, 43, 3/4, 163-176, https://doi.org/10.1007/BF02292946 . [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]

Wells, Gillespie, et al., 1985
Wells, D.E.; Gillespie, M.J.; Porter, A.E.A., Dichlorobenzyl alkyl ether homologs as retention index markers and internal standards for the analysis of environmental samples using capillary gas chromatography, J. Hi. Res. Chromatogr. Chromatogr. Comm., 1985, 8, 8, 443-449, https://doi.org/10.1002/jhrc.1240080818 . [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]

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]

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]

Notes

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• Symbols used in this document:
  

  d(ln(kH))/d(1/T)	Temperature dependence parameter for Henry's Law constant
  k°H	Henry's Law constant at 298.15K

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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