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Environmental fate & pathways

Adsorption / desorption

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Endpoint:
adsorption / desorption: screening
Type of information:
calculation (if not (Q)SAR)
Adequacy of study:
weight of evidence
Reliability:
4 (not assignable)
Rationale for reliability incl. deficiencies:
documentation insufficient for assessment
Remarks:
Limited information available
Principles of method if other than guideline:
Estimated from the LogKow
GLP compliance:
no
Media:
soil
Type:
Koc
Value:
0.3 - 16 L/kg
Remarks on result:
other: using the octanol-water partition coefficient, log Kow = -0.34 (Leo, 1971) and regression equations reported in Lyman (1982)

The adsorption coefficient Koc can be estimated for acetonitrile using the octanol-water partition coefficient, log Kow = -0.34 (Leo, 1971). Koc values of 0.3 - 16 L/kg were obtained using regression equations reported in Lyman (1982), indicating that adsorption onto suspended solids or sediment by acetonitrile would be weak and likely to be unimportant. Leaching, on the other hand, could be significant (Howard, 1993). Sorption on to clay soils would be due to partition between the interfacial clay and the bulk solution phases, and not due to any specific bonding (Howard, 1993).

Executive summary:

The adsorption coefficient Koc can be estimated for acetonitrile using the octanol-water partition coefficient, log Kow = -0.34 (Leo, 1971). Koc values of 0.3 - 16 were obtained using regression equations reported in Lyman (1982), indicating that adsorption onto suspended solids or sediment by acetonitrile would be weak and likely to be unimportant. Leaching, on the other hand, could be significant (Howard, 1993). Sorption on to clay soils would be due to partition between the interfacial clay and the bulk solution phases, and not due to any specific bonding (Howard, 1993).

Endpoint:
adsorption / desorption, other
Remarks:
QSAR
Type of information:
(Q)SAR
Remarks:
Estimated via US EPA PCKOC software (v1.66)
Adequacy of study:
weight of evidence
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
Remarks:
Model cited in R.7 guidance
Principles of method if other than guideline:
PCKOC v1.66
Key result
Type:
Koc
Value:
4.5 L/kg

estimated Koc of 4.5

Executive summary:

US EPA PCKOC software (v1.66) generated an estimated Koc of 4.5 for acetonitrile.

Description of key information

Estimated Koc values for acetonitrile range from 0.3 - 16 and indicate a low potential for adsorption to soils.

Key value for chemical safety assessment

Koc at 20 °C:
4.5

Additional information

The adsorption coefficient, Koc, can be estimated for acetonitrile using the octanol-water partition coefficient, log Pow = -0.34 (Leo et al., 1971), and Koc values of 0.3-16 were obtained using regression equations reported in Lyman et al (1982). EPA PCKOC software (v1.66) generated an estimated Koc of 4.5 for acetonitrile. These Koc values indicate a low potential for adsorption to soils; given the high water solubility of acetonitrile leaching to groundwater may be important when spilled on soil (Howard, 1993). Sorption on to clay soils would be due to partition between the interfacial clay and the bulk solution phases, and not due to any specific bonding (Howard, 1993).