Diethylpropion

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Gas phase thermochemistry 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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Δfgas-29.66 ± 0.36kcal/molCcbWelle, Verevkin, et al., 1994 

Condensed phase thermochemistry 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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Δfliquid-46.77 ± 0.26kcal/molCcbWelle, Verevkin, et al., 1994 
Quantity Value Units Method Reference Comment
Δcliquid-1824.9 ± 0.26kcal/molCcbWelle, Verevkin, et al., 1994 

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:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos

Quantity Value Units Method Reference Comment
Δvap17.1 ± 0.24kcal/molVWelle, Verevkin, et al., 1994ALS
Δvap17.1 ± 0.24kcal/molGSWelle, Verevkin, et al., 1994Based on data from 293. to 333. K.; AC

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: Coblentz Society, Inc.

Condensed Phase Spectrum

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IR spectrum
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Notice: Except where noted, spectra from this collection were measured on dispersive instruments, often in carefully selected solvents, and hence may differ in detail from measurements on FTIR instruments or in other chemical environments. More information on the manner in which spectra in this collection were collected can be found here.

Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.

Additional Data

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Owner COBLENTZ SOC.
Collection (C) 2018 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Source reference COBLENTZ NO. 05175
Date 1964/05/21
Name(s) 2-(diethylamino)-1-phenyl-1-propanone
Alpha-DIETHYLAMINOPROPIOPHENONE
State SOLUTION (CS2 FOR 2-15 microns, AND C2Cl4 FOR 5-7.1 microns)
Instrument PERKIN-ELMER 21 (GRATING)
Instrument parameters FILTER AT ABOUT 10 MICRONS
Path length 0.1 CM
Resolution 2
Sampling procedure TRANSMISSION
Data processing DIGITIZED BY COBLENTZ SOCIETY (BATCH I) FROM HARD COPY

This IR spectrum is from the Coblentz Society's evaluated infrared reference spectra collection.


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

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Due to licensing restrictions, this spectrum cannot be downloaded.

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 AAFS Toxicology Section MS DB Committee, U. Alberta, Canada
NIST MS number 246177

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
CapillaryBP-1130.1476.Japp, Gill, et al., 198725. m/0.22 mm/0.25 μm, N2
CapillaryBP-1130.1489.Japp, Gill, et al., 198725. m/0.53 mm/1. μm, N2
PackedApiezon L160.1490.Huber, Kenndler, et al., 1979 
PackedApiezon L160.1518.Donike and Stratmann, 1976Chromosorb W

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

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Column type Active phase I Reference Comment
PackedOV-1011490.McLinden and Stenhouse, 1979N2, Chromosorb W; Column length: 2. m; Program: not specified
PackedSE-301480.Moffat, Stead, et al., 1974Column length: 2. m; Program: not specified

Kovats' RI, polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
PackedPEG-20M160.1965.Huber, Kenndler, et al., 1979N2
PackedPEG-20M160.1965.Donike and Stratmann, 1976Chromosorb W

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

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Column type Active phase I Reference Comment
CapillaryVF-5MS1515.Tretyakov, 201430. m/0.25 mm/0.25 μm, He; Tstart: 60. C; Tend: 270. C
CapillarySE-301470.Anderson and Stafford, 198315. m/0.25 mm/0.25 μm, He, 5. K/min; Tstart: 100. C; Tend: 295. C
PackedSE-301495.Perrigo and Peel, 1981N2, Chromosorb W, 130. C @ 2. min, 8. K/min, 290. C @ 8. min; Column length: 1.8 m

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

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Column type Active phase I Reference Comment
CapillaryBP-11483.Stowell and Wilson, 198712. m/0.22 mm/0.25 μm, He; Program: 120C => 8C/min => 270C => 25C/min => 300C

Normal alkane RI, non-polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
CapillaryApieson L / KOH150.1472.Caddy, Fish, et al., 1973 
CapillaryApieson L / KOH150.1477.Caddy, Fish, et al., 1973 
CapillaryApieson L / KOH150.1478.Caddy, Fish, et al., 1973 
CapillaryApieson L / KOH190.1495.Caddy, Fish, et al., 1973 
CapillaryApieson L / KOH190.1500.Caddy, Fish, et al., 1973 
CapillaryApieson L / KOH190.1503.Caddy, Fish, et al., 1973 

Normal alkane RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryBP-11470.Stowell and Wilson, 198512. m/0.22 mm/0.25 μm, He, 5. K/min; Tstart: 100. C; Tend: 295. C
PackedOV-11465.Marozzi, Gambaro, et al., 1982Gas Chrom P, 2.5 K/min; Column length: 2. m; Tstart: 120. C; Tend: 200. C
PackedSE-301475.Marozzi, Gambaro, et al., 1982Gas 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

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Column type Active phase I Reference Comment
CapillaryBP-11483.Stowell and Wilson, 198512. m/0.22 mm/0.25 μm, He; Program: 120 0X 8 0C/min -> 270 0C 25 0C/min -> 300 0C (5 min)
CapillaryBP-11480.Stowell and Wilson, 198512. m/0.22 mm/0.25 μm, He; Program: not specified
CapillaryOV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc.1470.Waggott and Davies, 1984Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified
OtherMethyl Silicone1486.Ardrey and Moffat, 1981Program: not specified
CapillaryMethyl Silicone1485.Pearson and Brown, 1978Program: not specified

Normal alkane RI, polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
CapillaryCarbowax 20M / KOH150.1982.Caddy, Fish, et al., 1973 
CapillaryCarbowax 20M / KOH150.1991.Caddy, Fish, et al., 1973 
CapillaryCarbowax 20M / KOH150.1999.Caddy, Fish, et al., 1973 
CapillaryCarbowax 20M / KOH190.2011.Caddy, Fish, et al., 1973 
CapillaryCarbowax 20M / KOH190.2023.Caddy, Fish, et al., 1973 
CapillaryCarbowax 20M / KOH190.2032.Caddy, Fish, et al., 1973 

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, 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.

Welle, Verevkin, et al., 1994
Welle, f.; Verevkin, S.P.; Keller, M.; Beckhaus, H.-D.; Ruchardt, C., Kinetische und thermodynamische Stabilitat von 2,3-Bis(dialkylamino)-1,4-diketonen - Stabilisierungsenergie capto-dativ substituierter α-Dialkylamino-α-Carbonylalkyl-Radikale, Chem. Ber., 1994, 127, 697-710. [all data]

Japp, Gill, et al., 1987
Japp, M.; Gill, R.; Osselton, M.D., Comparison of drug retention indices determined on packed, wide bore capillary and narrow bore capillary columns, J. Forensic Sci., 1987, 32, 6, 1574-1586. [all data]

Huber, Kenndler, et al., 1979
Huber, J.F.K.; Kenndler, E.; Reich, G., Quantitation of the Information Content of Multi-Dimensional Gas Chromatography and Low- Resolution Mass Spectrometry in the Identification of Doping Drugs, J. Chromatogr., 1979, 172, 1, 15-30, https://doi.org/10.1016/S0021-9673(00)90941-5 . [all data]

Donike and Stratmann, 1976
Donike, M.; Stratmann, D., Gas-chromatographische identifizierung von stimulantien der phenyläthylaminreihe mit hilfe der retnetions-indices, Z. Anal. Chem., 1976, 279, 2, 129-131, https://doi.org/10.1007/BF00440798 . [all data]

McLinden and Stenhouse, 1979
McLinden, V.J.; Stenhouse, A.M., A chromatography system for drug identification, Forensic Sci. Int., 1979, 13, 71-79, https://doi.org/10.1016/0379-0738(79)90265-2 . [all data]

Moffat, Stead, et al., 1974
Moffat, A.C.; Stead, A.H.; Smalldon, K.W., Optimum use of paper, thin-layer and gas-liquid chromatography for the identification of basic drugs. III. Gas-liquid chromatography, J. Chromatogr., 1974, 90, 1, 19-33, https://doi.org/10.1016/S0021-9673(01)94770-3 . [all data]

Tretyakov, 2014
Tretyakov, K.V., Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2014. [all data]

Anderson and Stafford, 1983
Anderson, W.H.; Stafford, D.T., Applications of capillary gas chromatography in routine toxicological analyses, J. Hi. Res. Chromatogr. Chromatogr. Comm., 1983, 6, 5, 247-254, https://doi.org/10.1002/jhrc.1240060506 . [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]

Stowell and Wilson, 1987
Stowell, A.; Wilson, L.W., A simple approach to the interlaboratory transfer of drug retention indices determined by temperature programmed capillary gas chromatography, J. Forensic Sci., 1987, 32, 5, 1214-1220. [all data]

Caddy, Fish, et al., 1973
Caddy, B.; Fish, F.; Scott, D., Chromatographic screening for drugs of abuse using capillary columds. II. Peak identification on support coated open tubular columns for a series of central nervous system stimulating drugs, Chromatographia, 1973, 6, 7, 293-300, https://doi.org/10.1007/BF02269329 . [all data]

Stowell and Wilson, 1985
Stowell, A.; Wilson, L., Use of retention indices in drug screening by capillary gas chromatography, Rep. # CD 2362, Department of Scientific and Industrial Reseach, Chemistry Division, Lower Hutt, NZ, 1985, 32. [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]

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]

Pearson and Brown, 1978
Pearson, E.F.; Brown, C., The development and applications of the computer system of the Home Office Central Research Establishment, Instrument Applications in Forensic Drug Chemistry, Proceedings of the International Symposium, May 29-30, 1978, 1978, 299. [all data]


Notes

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