Acetonitrile

Adsorption / desorption

Link to relevant study record(s)

Reference

Reference 1

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).

Reference 2

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, K_oc, can be estimated for acetonitrile using the octanol-water partition coefficient, log P_ow = -0.34 (Leo et al., 1971), and K_oc 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 K_oc 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).