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Gas chromatographic...
Gas chromatographic estimation of vapor pressures and octanol-air partition coefficients of semivolatile organic compounds of emerging concern
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- Okeme, Joseph (författare)
- University of Toronto at Scarborough, Scarborough, ON, Canada
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- Rodgers, Timothy F.M. (författare)
- University of Toronto, Toronto, ON, Canada
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- Parnis, J. Mark (författare)
- Trent University, Peterborough, ON, Canada
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- Diamond, Miriam L. (författare)
- University of Toronto, Toronto, ON, Canada
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- Bidleman, Terry F. (författare)
- Umeå universitet,Kemiska institutionen,EcoChange
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- Jantunen, Liisa M. (författare)
- Environment and Climate Change Canada, Egbert, ON, Canada
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(creator_code:org_t)
- 2020-03-30
- 2020
- Engelska.
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Ingår i: Journal of Chemical and Engineering Data. - Washington, DC, USA : American Chemical Society (ACS). - 0021-9568 .- 1520-5134. ; 65:5, s. 2467-2475
- Relaterad länk:
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https://doi.org/10.1...
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https://umu.diva-por... (primary) (Raw object)
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https://pubs.acs.org...
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https://urn.kb.se/re...
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https://doi.org/10.1...
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Abstract
Ämnesord
Stäng
- The subcooled liquid-phase vapor pressures (pL298/Pa) and octanol–air partition coefficients (KOA298) at T/K = 298, enthalpies of vaporization (ΔVAPH/kJ·mol–1), and internal energies of phase transfer from octanol to air (ΔOAU/kJ·mol–1) were estimated for synthetic musks, novel brominated flame retardants (N-BFR), organophosphate esters, and ultraviolet filters using the capillary gas chromatographic retention time (GC-RT) method. These compounds, which spanned approximately six and three orders of magnitude for pL298/Pa and KOA298, respectively, were co-chromatographed with one of three reference compounds to give initial estimates of properties at T/K = 298. The initial GC-RT property estimates were subsequently calibrated using 18 compounds that spanned 6 log units for pL298/Pa and 13 compounds covering 4 log units for KOA298. The calibrated log10pL298/Pa values estimated here ranged from 0.14 ± 0.19 to −9.19 ± 0.29 for cyclopentadecanone to syn-dechlorane plus (syn-DDC-CO), respectively, while the range of log10KOA298 values was 6.59 ± 0.26 to 11.40 ± 0.23 for cyclopentadecanone to 2,2′,4,4′,5-pentabromodiphenyl ether (BDE-99), respectively. The calibrated GC-RT-derived values were highly correlated with, and were within an average of 0.70 log units of, the literature data for compounds with well-established pL298/Pa and KOA298 measured or derived using non-GC-RT methods. Nonpolar compounds were used in this study to estimate the target polar compound data, which may introduce systematic errors. However, the comparison of our GC-RT results against the literature non-GC-RT values shows that the GC-RT methods performed similarly well for estimating both polar and nonpolar target compounds studied in this work.
Ämnesord
- NATURVETENSKAP -- Kemi -- Analytisk kemi (hsv//swe)
- NATURAL SCIENCES -- Chemical Sciences -- Analytical Chemistry (hsv//eng)
- NATURVETENSKAP -- Kemi -- Fysikalisk kemi (hsv//swe)
- NATURAL SCIENCES -- Chemical Sciences -- Physical Chemistry (hsv//eng)
Nyckelord
- gas chromatography
- vapor pressure
- octanol-air partition coefficient
- physicochemical properties
- Physical Chemistry
- fysikalisk kemi
- Analytical Chemistry
- analytisk kemi
Publikations- och innehållstyp
- ref (ämneskategori)
- art (ämneskategori)
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