Abstract
Partition coefficients between 1-octanol and water, Kow, of 16 C-7 cyclic hydrocarbons were measured using the classic shake-flask method or the more recent slow-stir method. For eight compounds, both methods were used and the results are summarized by log Kow(shake flask) = m log Kow(slow stir), where m is 0.998 ± 0.003 (±SD). The compounds include quadricyclane, bicyclohepta-2,5-diene, norbornylene, norborane, and commercially available derivatives containing oxygen or halogen atoms. The rapid hydrolysis of three halogenated derivatives prevented direct measurements; estimates for these were calculated from retention times measured with a C-18 reverse-phase column. The compounds are hydrophilic to moderately hydrophobic; the values of log Kow range from -0.42 to 3.78.
| Original language | English (US) |
|---|---|
| Pages (from-to) | 1321-1324 |
| Number of pages | 4 |
| Journal | Journal of Chemical and Engineering Data |
| Volume | 44 |
| Issue number | 6 |
| DOIs | |
| State | Published - Nov 1 1999 |
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Octanol-water partition coefficients of cyclic C-7 hydrocarbons and selected derivatives. / Lodge, Keith B.
In: Journal of Chemical and Engineering Data, Vol. 44, No. 6, 01.11.1999, p. 1321-1324.Research output: Contribution to journal › Article
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TY - JOUR
T1 - Octanol-water partition coefficients of cyclic C-7 hydrocarbons and selected derivatives
AU - Lodge, Keith B
PY - 1999/11/1
Y1 - 1999/11/1
N2 - Partition coefficients between 1-octanol and water, Kow, of 16 C-7 cyclic hydrocarbons were measured using the classic shake-flask method or the more recent slow-stir method. For eight compounds, both methods were used and the results are summarized by log Kow(shake flask) = m log Kow(slow stir), where m is 0.998 ± 0.003 (±SD). The compounds include quadricyclane, bicyclohepta-2,5-diene, norbornylene, norborane, and commercially available derivatives containing oxygen or halogen atoms. The rapid hydrolysis of three halogenated derivatives prevented direct measurements; estimates for these were calculated from retention times measured with a C-18 reverse-phase column. The compounds are hydrophilic to moderately hydrophobic; the values of log Kow range from -0.42 to 3.78.
AB - Partition coefficients between 1-octanol and water, Kow, of 16 C-7 cyclic hydrocarbons were measured using the classic shake-flask method or the more recent slow-stir method. For eight compounds, both methods were used and the results are summarized by log Kow(shake flask) = m log Kow(slow stir), where m is 0.998 ± 0.003 (±SD). The compounds include quadricyclane, bicyclohepta-2,5-diene, norbornylene, norborane, and commercially available derivatives containing oxygen or halogen atoms. The rapid hydrolysis of three halogenated derivatives prevented direct measurements; estimates for these were calculated from retention times measured with a C-18 reverse-phase column. The compounds are hydrophilic to moderately hydrophobic; the values of log Kow range from -0.42 to 3.78.
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U2 - 10.1021/je9900629
DO - 10.1021/je9900629
M3 - Article
AN - SCOPUS:0033216501
VL - 44
SP - 1321
EP - 1324
JO - Journal of Chemical & Engineering Data
JF - Journal of Chemical & Engineering Data
SN - 0021-9568
IS - 6
ER -