Henry's law constants measurements of the nonylphenol isomer 4(3′,5′-dimethyl-3′-heptyl)-phenol, tertiary octylphenol and γ-hexachlorocyclohexane between 278 and 298 K
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Henry's law constants measurements of the nonylphenol isomer 4(3′,5′-dimethyl-3′-heptyl)-phenol, tertiary octylphenol and γ-hexachlorocyclohexane between 278 and 298 K. / Xie, Zhiyong; Le Calve, S; Feigenbrugel, Valerie et al.
In: Atmospheric Environment, Vol. 38, No. 29, 01.09.2004, p. 4859-4868.Research output: Journal contributions › Journal articles › Research › peer-review
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T1 - Henry's law constants measurements of the nonylphenol isomer 4(3′,5′-dimethyl-3′-heptyl)-phenol, tertiary octylphenol and γ-hexachlorocyclohexane between 278 and 298 K
AU - Xie, Zhiyong
AU - Le Calve, S
AU - Feigenbrugel, Valerie
AU - Preuss, Thomas G.
AU - Vinken, Ralph
AU - Ebinghaus, Ralf
AU - Ruck, Wolfgang
N1 - Funding Information: We wish to thank Dr. Soenke Lakaschus (Dr. Specht und Partner Chemische Laboratorien GmbH, Germany) and Dr. Jordi Dachs (Department of Environmental Chemistry, CSIC, IIQAB, Spain) for encouraging determining the temperature dependence of HLC of NP. Mr. Armando Caba is kindly acknowledged for his assistance in sample process. This work was sponsored in part by the French Ministry of Environment through the PRIMEQUAL 2 program, the French Agency for Environment and Energy Management (ADEME) and the region of Alsace. This is the EOST contribution no 2004.102-UMR7517.
PY - 2004/9/1
Y1 - 2004/9/1
N2 - Henry's Law Constants (HLC, Matm -1) were determined for the diastereomeric mixture of the nonylphenol isomer 4(3′,5′-dimethyl- 3′-heptyl)-phenol diastereomers (NP353(+) and NP353(-)), tertiary octylphenol (t-OP) and γ-hexachlorocyclohexane (γ-HCH) in artificial seawater over a temperature range 278-298K using a dynamic equilibrium system. Trace organic substances present in the gas phase were trapped by tandem XAD-2 cartridges and extracted with a soxhlet extractor. The extracts were derivatived with N,O-bis(trimethylsilyl)-trifluoroacetamide (BSTFA), and then analyzed with GC-MS in the selective ion mode. At 293K and in artificial seawater, HLC (Matm -1) were found to be equal to: NP353(+), HLC=(483±169); NP353(-), HLC=(551±193); t-OP, HLC=(400±140); γ-HCH, HLC=(876±307). The obtained data were used to derive the following Van't Hoff expressions: ln HLC (NP353(+))=8.73 (±0.95)×(1000/T) -23.61 (±3.30); ln HLC (NP353(-))=8.61 (±0.91)×(1000/T)-23.08 (±3.18); lnHLC (t-OP)=9.03 (±1.40)×(1000/T)-24.83 (±4.86); lnHLC (γ-HCH)=6.17 (±1.08)×(1000/T)-14.28 (±3.75). The derived enthalpies of solvation for NP353(+), NP353(-), t-OP and γ-HCH are -72.6±7.9, -71.6±7.6, -75.1±11.5 and -51.3±9.0kJmol -1, respectively. The HLC measurements of γ-HCH, which was used as reference substance, were in good agreement with literature values and its corresponding derived enthalpy of solvation agrees well to the previous values reported in the literature. A reassessment of the air/water gas exchange based on experimentally derived HLC was made for the nonylphenol (NP) in the Lower Hudson River estuary (New York/New Jersey, USA) that was previously reported by Van Ry. A net atmospheric deposition was calculated for the gas exchange of NP in the Lower Bay (Ff w=0.13), and it nearly reaches the condition of equilibrium in the Upper Bay (Ff w=0.46). © 2004 Elsevier Ltd. All rights reserved.
AB - Henry's Law Constants (HLC, Matm -1) were determined for the diastereomeric mixture of the nonylphenol isomer 4(3′,5′-dimethyl- 3′-heptyl)-phenol diastereomers (NP353(+) and NP353(-)), tertiary octylphenol (t-OP) and γ-hexachlorocyclohexane (γ-HCH) in artificial seawater over a temperature range 278-298K using a dynamic equilibrium system. Trace organic substances present in the gas phase were trapped by tandem XAD-2 cartridges and extracted with a soxhlet extractor. The extracts were derivatived with N,O-bis(trimethylsilyl)-trifluoroacetamide (BSTFA), and then analyzed with GC-MS in the selective ion mode. At 293K and in artificial seawater, HLC (Matm -1) were found to be equal to: NP353(+), HLC=(483±169); NP353(-), HLC=(551±193); t-OP, HLC=(400±140); γ-HCH, HLC=(876±307). The obtained data were used to derive the following Van't Hoff expressions: ln HLC (NP353(+))=8.73 (±0.95)×(1000/T) -23.61 (±3.30); ln HLC (NP353(-))=8.61 (±0.91)×(1000/T)-23.08 (±3.18); lnHLC (t-OP)=9.03 (±1.40)×(1000/T)-24.83 (±4.86); lnHLC (γ-HCH)=6.17 (±1.08)×(1000/T)-14.28 (±3.75). The derived enthalpies of solvation for NP353(+), NP353(-), t-OP and γ-HCH are -72.6±7.9, -71.6±7.6, -75.1±11.5 and -51.3±9.0kJmol -1, respectively. The HLC measurements of γ-HCH, which was used as reference substance, were in good agreement with literature values and its corresponding derived enthalpy of solvation agrees well to the previous values reported in the literature. A reassessment of the air/water gas exchange based on experimentally derived HLC was made for the nonylphenol (NP) in the Lower Hudson River estuary (New York/New Jersey, USA) that was previously reported by Van Ry. A net atmospheric deposition was calculated for the gas exchange of NP in the Lower Bay (Ff w=0.13), and it nearly reaches the condition of equilibrium in the Upper Bay (Ff w=0.46). © 2004 Elsevier Ltd. All rights reserved.
KW - Air/water exchange
KW - Henry's law constant
KW - Nonylphenol isomers
KW - Tertiary octylphenol
KW - γ-hexachlorocyclohexane
UR - http://www.scopus.com/inward/record.url?scp=4043102627&partnerID=8YFLogxK
UR - https://www.mendeley.com/catalogue/3c907e46-a1d3-3f54-a738-db27b004e9a9/
U2 - 10.1016/j.atmosenv.2004.05.013
DO - 10.1016/j.atmosenv.2004.05.013
M3 - Journal articles
VL - 38
SP - 4859
EP - 4868
JO - Atmospheric Environment
JF - Atmospheric Environment
SN - 1352-2310
IS - 29
ER -