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Benzene, 1,3,5-trichloro-2-methoxy-


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 by: Robert L. Brown and Stephen E. Stein

Reduced pressure boiling point

Tboil (K) Pressure (atm) Reference
405.20.037Aldrich Chemical Company Inc., 1990
513.20.971Weast and Grasselli, 1989

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

Gas Phase Spectrum

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IR spectrum
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Additional Data

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Owner NIST Standard Reference Data Program
Collection (C) 2018 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin Sadtler Research Labs Under US-EPA Contract
State gas

This IR spectrum is from the NIST/EPA Gas-Phase Infrared Database .


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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Mass spectrum
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Additional Data

View image of digitized spectrum (can be printed in landscape orientation).

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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
NIST MS number 333450

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.


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
CapillarySE-30140.1319.Korhonen, 1984N2; Column length: 25. m; Column diameter: 0.3 mm
CapillarySE-30160.1333.Korhonen, 1984N2; Column length: 25. m; Column diameter: 0.3 mm
CapillarySE-30180.1350.Korhonen, 1984N2; Column length: 25. m; Column diameter: 0.3 mm

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

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Column type Active phase I Reference Comment
CapillaryMethyl Silicone1339.Staples, 2005Column diameter: 0.25 mm; Program: not specified

Kovats' RI, polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
CapillaryOV-351140.1813.Korhonen, 1984N2; Column length: 25. m; Column diameter: 0.32 mm
CapillaryOV-351160.1837.Korhonen, 1984N2; Column length: 25. m; Column diameter: 0.32 mm
CapillaryOV-351180.1842.Korhonen, 1984N2; Column length: 25. m; Column diameter: 0.32 mm

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

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Column type Active phase I Reference Comment
CapillarySE-301327.Korhonen, 1984N2, 10. K/min; Column length: 25. m; Column diameter: 0.3 mm; Tstart: 100. C
CapillarySE-301305.Korhonen, 1984N2, 2. K/min; Column length: 25. m; Column diameter: 0.3 mm; Tstart: 100. C
CapillarySE-301319.Korhonen, 1984N2, 6. K/min; Column length: 25. m; Column diameter: 0.3 mm; Tstart: 100. C

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

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Column type Active phase I Reference Comment
CapillaryVF-5MS1350.8Tret'yakov, 200730. m/0.25 mm/0.25 «mu»m, He; Program: Multi-step temperature program; T(initial)=60C; T(final)=270C
CapillaryPONA1331.Cantergiani, Brevard, et al., 2001Program: not specified

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

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Column type Active phase I Reference Comment
CapillaryOV-3511805.Korhonen, 1984N2, 10. K/min; Column length: 25. m; Column diameter: 0.32 mm; Tstart: 100. C
CapillaryOV-3511775.Korhonen, 1984N2, 2. K/min; Column length: 25. m; Column diameter: 0.32 mm; Tstart: 100. C
CapillaryOV-3511794.Korhonen, 1984N2, 6. K/min; Column length: 25. m; Column diameter: 0.32 mm; Tstart: 100. C

Van Den Dool and Kratz RI, polar column, custom temperature program

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Column type Active phase I Reference Comment
CapillaryDB-Wax1817.Cantergiani, Brevard, et al., 200130. m/0.25 mm/0.25 «mu»m; Program: 20C(30s) => fast => 60C => 4C/min => 220C (20min)

Normal alkane RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryUltra-11298.Okumura, 199125. m/0.32 mm/0.25 «mu»m, He, 3. K/min; Tstart: 80. C; Tend: 260. C
CapillaryDB-51291.Spadone, Takeoka, et al., 1990H2, 16. K/min; Column length: 30. m; Column diameter: 0.3 mm; Tstart: 80. C; Tend: 250. C
CapillaryHP-51345.Spadone, Takeoka, et al., 1990H2, 16. K/min; Column length: 50. m; Column diameter: 0.3 mm; Tstart: 80. C; Tend: 250. C

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

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Column type Active phase I Reference Comment
CapillaryDB-51330.Prat, Trias, et al., 200930. m/0.32 mm/0.50 «mu»m, Hydrogen; Program: 40 0C 2 0C/min -> 12 0C/min -> 105 0C 6 0C/min -> 220 0C (20 min)
CapillaryCP Sil 21322.Fuhrer, Deissler, et al., 199755. m/0.25 mm/0.25 «mu»m, N2; Program: 40C(3min) => 20C/min => 80C => 2C/min => 240C(45min)
CapillaryOV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc.1302.Waggott and Davies, 1984Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified
CapillaryOV-11302.Waggott and Davies, 1984Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified

Normal alkane RI, polar column, custom temperature program

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Column type Active phase I Reference Comment
CapillaryDB-Wax1806.Ferreira, Juan, et al., 200930. m/0.32 mm/0.50 «mu»m; Program: 40 0C (5 min) 4 0C/min -> 100 0C 6 0C/min -> 220 0C (40 min)
CapillaryDB-Wax1832.Prat, Trias, et al., 200930. m/0.32 mm/0.50 «mu»m, Hydrogen; Program: 40 0C 2 0C/min -> 12 0C/min -> 105 0C 6 0C/min -> 220 0C (20 min)
CapillaryDB-Wax1812.Caldentey, Daria Fumi, et al., 199830. m/0.25 mm/0.25 «mu»m, He; Program: 25C(8min) => 4C/min => 60C => 6C/min => 160C => 20C/min => 200C
CapillarySuperox 0.6; Carbowax 20M1768.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.1768.Waggott and Davies, 1984Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified

References

Go To: Top, Phase change data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, Notes

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

Aldrich Chemical Company Inc., 1990
Aldrich Chemical Company Inc., Catalog Handbook of Fine Chemicals, Aldrich Chemical Company, Inc., Milwaukee WI, 1990, 1. [all data]

Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [all data]

Korhonen, 1984
Korhonen, I.O.O., Gas-Liquid Chromatographic Analyses. XXVIII. Capillary Column Studies of Chlorinated Anisoles, J. Chromatogr., 1984, 294, 99-116, https://doi.org/10.1016/S0021-9673(01)96118-7 . [all data]

Staples, 2005
Staples, E.J., Ultrahigh-speed chromatography and virtual chemical sensors for detecting explosives and chemical warfare agents, IEEE Sens. J., 2005, 5, 4, 622-631, https://doi.org/10.1109/JSEN.2005.850990 . [all data]

Tret'yakov, 2007
Tret'yakov, K.V., Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2007. [all data]

Cantergiani, Brevard, et al., 2001
Cantergiani, E.; Brevard, H.; Krebs, Y.; Feria-Morales, A.; Amadò, R.; Yeretzian, C., Characterisation of the aroma of green Mexican coffee and identification of mouldy/earthy defect, Eur. Food Res. Technol., 2001, 212, 6, 648-657, https://doi.org/10.1007/s002170100305 . [all data]

Okumura, 1991
Okumura, T., retention indices of environmental chemicals on methyl silicone capillary column, Journal of Environmental Chemistry (Japan), 1991, 1, 2, 333-358, https://doi.org/10.5985/jec.1.333 . [all data]

Spadone, Takeoka, et al., 1990
Spadone, J.-C.; Takeoka, G.; Liardon, R., Analytical Investigation of Rio Off-Flavor in Green Coffee, J. Agric. Food Chem., 1990, 38, 1, 226-233, https://doi.org/10.1021/jf00091a050 . [all data]

Prat, Trias, et al., 2009
Prat, C.; Trias, R.; Cullere, L.; Escudero, A.; Antico, E.; BAneras, L., Off-odor compounds produced in cork by isolated bacteria and fungi: a gas chromatography - mass spectrometry and gas chromatography - olfactometry study, J. Agric. Food Chem., 2009, 57, 16, 7473-7479, https://doi.org/10.1021/jf900723s . [all data]

Fuhrer, Deissler, et al., 1997
Fuhrer, U.; Deissler, A.; Schreitmuller, J.; Ballschmiter, K., Analysis of Halogenated Methoxybenzenes and Hexachlorobenzene (HCB) in the Picogram m-3 Range in Marine Air, Chromatographia, 1997, 45, 1, 414-427, https://doi.org/10.1007/BF02505594 . [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]

Ferreira, Juan, et al., 2009
Ferreira, V.; Juan, F.S.; Escudero, A.; Cullere, L.; Fernandez-Zurbano, P.; Saenz-Navajas, M.P.; Cacho, J., Modeling quality of premium Spanish red wines from gas chromatography-olfactometry data, J. Agr. Food. Chem., 2009, 57, 16, 7490-7498, https://doi.org/10.1021/jf9006483 . [all data]

Caldentey, Daria Fumi, et al., 1998
Caldentey, P.; Daria Fumi, M.; Mazzoleni, V.; Careri, M., Volatile compounds produced by microorganisms isolated from cork, Flavour Fragr. J., 1998, 13, 3, 185-188, https://doi.org/10.1002/(SICI)1099-1026(199805/06)13:3<185::AID-FFJ723>3.0.CO;2-W . [all data]


Notes

Go To: Top, Phase change data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, References