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p,p'-DDT

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Phase change data

Go To: Top, Henry's Law data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, 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, Kenneth Kroenlein director
AC - William E. Acree, Jr., James S. Chickos

Quantity Value Units Method Reference Comment
Tfus383.17KN/ADonnelly, Drewes, et al., 1990Uncertainty assigned by TRC = 0.2 K; TRC
Tfus383.0KN/APlato and Glasgow, 1969Uncertainty assigned by TRC = 0.2 K; TRC
Tfus382.25KN/ADickinson, 1956Uncertainty assigned by TRC = 1. K; TRC

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
106.1 ± 1.3398.GSPuri, Chickos, et al., 2001AC
93.2398.GCHinckley, Bidleman, et al., 1990Based on data from 343. - 453. K.; AC
338.83.7N/AKuhn and Massini, 1949Based on data from 313. - 363. K.; AC

Enthalpy of sublimation

DeltasubH (kJ/mol) Temperature (K) Method Reference Comment
120.2 ± 1.0293.GSWania, Shiu, et al., 1994Based on data from 273. - 313. K.; AC
115.338.AStephenson and Malanowski, 1987Based on data from 323. - 363. K.; AC
110.304.GSRothman, 1980Based on data from 293. - 353. K.; AC
117.8303.GSSpencer and Cliath, 1972Based on data from 293. - 313. K.; AC
117.5338.GSDickinson, 1956Based on data from 323. - 363. K. See also Jones, 1960.; AC
84.338.GSKuhn and Massini, 1949Based on data from 313. - 363. K.; AC
118.356.TEBalson, 1947Based on data from 339. - 373. K.; AC

Enthalpy of fusion

DeltafusH (kJ/mol) Temperature (K) Method Reference Comment
26.28382.1DSCAcree, 1991See also Donnelly, Drewes, et al., 1990, 2.; AC

In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:


Henry's Law data

Go To: Top, Phase change data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, 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) = H exp(d(ln(kH))/d(1/T) ((1/T) - 1/(298.15 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)

H (mol/kg*bar) d(ln(kH))/d(1/T) (K) Method Reference Comment
28. QN/AValue at T = 288. K.
19. LN/A 

IR Spectrum

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

Data compiled by: Coblentz Society, Inc.

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


Mass spectrum (electron ionization)

Go To: Top, Phase change data, Henry's Law data, IR Spectrum, UV/Visible spectrum, 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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Mass 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 118994

All mass spectra in this site (plus many more) are available from the NIST/EPA/NIH Mass Spectral Library. Please see the following for information about the library and its accompanying search program.


UV/Visible spectrum

Go To: Top, Phase change data, Henry's Law data, IR Spectrum, 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 compiled by: Victor Talrose, Eugeny B. Stern, Antonina A. Goncharova, Natalia A. Messineva, Natalia V. Trusova, Margarita V. Efimkina

Spectrum

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UVVis spectrum
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Additional Data

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Source Bartecki, Szoke, et al., 1965
Owner INEP CP RAS, NIST OSRD
Collection (C) 2007 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin INSTITUTE OF ENERGY PROBLEMS OF CHEMICAL PHYSICS, RAS
Source reference RAS UV No. 9035
Instrument Zeiss VSU-1
Melting point 108.5
Boiling point 260; 186(0.05)

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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Column type Active phase Temperature (C) I Reference Comment
CapillaryOV-1190.2289.Erdmann, Rochholz, et al., 1992 
CapillaryOV-1220.2301.Erdmann, Rochholz, et al., 1992 
PackedApiezon L215.2284.Heinzen and Yunes, 1992Chromosorb W; Column length: 1.8 m
PackedOV-1200.2284.Dubsky, Hána, et al., 1979Column length: 2. m

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

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Column type Active phase I Reference Comment
PackedSE-302330.Osselton and Snelling, 1986N2, Chromosorb W HP; Column length: 2. m; Program: not specified
PackedSE-302290.Ramsey, Lee, et al., 1980He, 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

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Column type Active phase I Reference Comment
CapillaryOV-12325.2Gautzsch and Zinn, 19968. K/min; Tstart: 35. C; Tend: 300. C
CapillaryOV-12263.de Paoli, Taccheo-Barbina, et al., 199125. m/0.32 mm/0.10 «mu»m, 160. C @ 1. min, 1. K/min; Tend: 240. C
CapillaryOV-12270.de Paoli, Taccheo-Barbina, et al., 199125. m/0.32 mm/0.10 «mu»m, 160. C @ 1. min, 1. K/min; Tend: 240. C
CapillaryOV-12277.de Paoli, Taccheo-Barbina, et al., 199125. m/0.32 mm/0.10 «mu»m, 160. C @ 1. min, 1.3 K/min; Tend: 240. C
CapillaryOV-12264.de Paoli, Taccheo-Barbina, et al., 199125. m/0.32 mm/0.10 «mu»m, 160. C @ 1. min, 1.5 K/min; Tend: 240. C
CapillaryOV-12270.de Paoli, Taccheo-Barbina, et al., 199125. m/0.32 mm/0.10 «mu»m, 160. C @ 1. min, 1.5 K/min; Tend: 240. C
CapillaryOV-12277.de Paoli, Taccheo-Barbina, et al., 199125. m/0.32 mm/0.10 «mu»m, 160. C @ 1. min, 2. K/min; Tend: 240. C
CapillaryCP Sil 5 CB2264.Wells, Gillespie, et al., 1985120. C @ 1. min, 3. K/min; Column length: 25. m; Column diameter: 0.22 mm; Tend: 250. C
PackedSE-302300.Perrigo and Peel, 1981N2, Chromosorb W, 130. C @ 2. min, 8. K/min, 290. C @ 8. min; Column length: 1.8 m

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

View large format table.

Column type Active phase I Reference Comment
CapillaryUltra-12270.Tameo and Kiyos, 1991Program: not specified
CapillaryOV-12300.Waggott and Davies, 1984Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified
CapillaryOV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc.2290.Waggott and Davies, 1984Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified
CapillaryOV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc.2300.Waggott and Davies, 1984Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified
OtherMethyl Silicone2299.Ardrey and Moffat, 1981Program: not specified

Normal alkane RI, polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillarySuperox 0.6; Carbowax 20M3106.Waggott and Davies, 1984Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified
CapillaryCarbowax 400, Carbowax 20M, Carbowax 1540, Carbowax 4000, Superox 06, PEG 20M, etc.3106.Waggott and Davies, 1984Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified
CapillarySuperox 0.6; Carbowax 20M3103.Waggott and Davies, 1984Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified
CapillaryCarbowax 400, Carbowax 20M, Carbowax 1540, Carbowax 4000, Superox 06, PEG 20M, etc.3103.Waggott and Davies, 1984Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified

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