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:
  • Phase change data
  • Henry's Law data
  • IR Spectrum
  • Mass spectrum (electron ionization)
  • UV/Visible spectrum
  • Gas Chromatography
  • References
  • Notes
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Phase change 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 as indicated in comments:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos

Enthalpy of vaporization

Enthalpy of sublimation

Enthalpy of fusion

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

Mass spectrum (electron ionization)

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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

Spectrum

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Additional Data

UV/Visible spectrum

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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: Victor Talrose, Eugeny B. Stern, Antonina A. Goncharova, Natalia A. Messineva, Natalia V. Trusova, Margarita V. Efimkina

Spectrum

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Additional Data

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

Go To: Top, Phase change data, Henry's Law data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, Gas Chromatography, Notes

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

Donnelly, Drewes, et al., 1990
Donnelly, J.R.; Drewes, L.A.; Johnson, R.L.; Munslow, W.D.; Knapp, K.K.; Sovocool, G.W., Purity and heat of fusion data for environmental standards as determined by differential scanning calorimetry, Thermochim. Acta, 1990, 167, 2, 155, https://doi.org/10.1016/0040-6031(90)80476-F . [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]

Dickinson, 1956
Dickinson, W., The vapour pressure of 1:1:p:p? dichlorodiphenyl trichloroethane (D.D.T.), Trans. Faraday Soc., 1956, 52, 31, https://doi.org/10.1039/tf9565200031 . [all data]

Puri, Chickos, et al., 2001
Puri, Swati; Chickos, James S.; Welsh, William J., Determination of Vaporization Enthalpies of Polychlorinated Biphenyls by Correlation Gas Chromatography, Anal. Chem., 2001, 73, 7, 1480-1484, https://doi.org/10.1021/ac001246p . [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]

Kuhn and Massini, 1949
Kuhn, Werner; Massini, Peter, Temperaturabh«65533»ngigkeit des Dampfdrucks sowie der Verdampfungsgeschwindigkeit von Dichlorodiphenyltrichlor«65533»than, Helv. Chim. Acta, 1949, 32, 5, 1530-1542, https://doi.org/10.1002/hlca.19490320520 . [all data]

Wania, Shiu, et al., 1994
Wania, Frank; Shiu, Wan-Ying; Mackay, Donald, Measurement of the Vapor Pressure of Several Low-Volatility Organochlorine Chemicals at Low Temperatures with a Gas Saturation Method, J. Chem. Eng. Data, 1994, 39, 3, 572-577, https://doi.org/10.1021/je00015a039 . [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]

Rothman, 1980
Rothman, Alan M., Low vapor pressure determination by the radiotracer transpiration method, J. Agric. Food Chem., 1980, 28, 6, 1225-1228, https://doi.org/10.1021/jf60232a033 . [all data]

Spencer and Cliath, 1972
Spencer, William F.; Cliath, Mark M., Volatility of DDT and related compounds, J. Agric. Food Chem., 1972, 20, 3, 645-649, https://doi.org/10.1021/jf60181a057 . [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]

Acree, 1991
Acree, William E., Thermodynamic properties of organic compounds: enthalpy of fusion and melting point temperature compilation, Thermochimica Acta, 1991, 189, 1, 37-56, https://doi.org/10.1016/0040-6031(91)87098-H . [all data]

Donnelly, Drewes, et al., 1990, 2
Donnelly, J.R.; Drewes, L.A.; Johnson, R.L.; Munslow, W.D.; Knapp, K.K.; Sovocool, G.W., Purity and heat of fusion data for environmental standards as determined by differential scanning calorimetry, Thermochimica Acta, 1990, 167, 2, 155-187, https://doi.org/10.1016/0040-6031(90)80476-F . [all data]

Bartecki, Szoke, et al., 1965
Bartecki, A.; Szoke, J.; Varasanyi, G.; Vizesy, M., Absorption spectra in the ultraviolet and visible region. Volume 6, Academic Press Inc., New York, 1965, 84. [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]

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

Go To: Top, Phase change data, Henry's Law data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, 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
  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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