2-isocyanatoethyl methacrylate

Henry's Law constant

Link to relevant study record(s)

Reference

Reference 1

Endpoint:

Henry's law constant

Type of information:

(Q)SAR

Adequacy of study:

supporting study

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

other: Validated QSAR model

Justification for type of information:

QSAR prediction: migrated from IUCLID 5.6

Principles of method if other than guideline:

Calculation based on HENRYWIN v3.20, Estimation Programs Interface Suite™ for Microsoft® Windows v 4.10. US EPA, United States Environmental Protection Agency, Washington, DC, USA.

GLP compliance:

no

H:

0.245 Pa m³/mol

Temp.:

25 °C

Remarks on result:

other: Bond estimation

For detailed description on the model and its applicability, see "Any other information on materials and methods incl. tables".

Reference 2

Endpoint:

Henry's law constant

Type of information:

(Q)SAR

Adequacy of study:

supporting study

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

other: Validated QSAR model

Justification for type of information:

QSAR prediction: migrated from IUCLID 5.6

Principles of method if other than guideline:

Calculation based on HENRYWIN v3.20, Estimation Programs Interface Suite™ for Microsoft® Windows v 4.10. US EPA, United States Environmental Protection Agency, Washington, DC, USA.

GLP compliance:

no

H:

2.961 Pa m³/mol

Temp.:

25 °C

Remarks on result:

other: Group estimation

For detailed description on the model and its applicability, see "Any other information on materials and methods incl. tables".

Reference 3

Endpoint:

Henry's law constant

Type of information:

(Q)SAR

Adequacy of study:

supporting study

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

other: Validated QSAR model

Justification for type of information:

QSAR prediction: migrated from IUCLID 5.6

Principles of method if other than guideline:

Calculation based on HENRYWIN v3.20, Estimation Programs Interface Suite™ for Microsoft® Windows v 4.10. US EPA, United States Environmental Protection Agency, Washington, DC, USA.

GLP compliance:

no

H:

0.002 Pa m³/mol

Temp.:

25 °C

Remarks on result:

other: Bond estimation

For detailed description on the model and its applicability, see "Any other information on materials and methods incl. tables".

Reference 4

Endpoint:

Henry's law constant

Type of information:

(Q)SAR

Adequacy of study:

supporting study

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

other: Validated QSAR model

Justification for type of information:

QSAR prediction: migrated from IUCLID 5.6

Principles of method if other than guideline:

Calculation based on HENRYWIN v3.20, Estimation Programs Interface Suite™ for Microsoft® Windows v 4.10. US EPA, United States Environmental Protection Agency, Washington, DC, USA.

GLP compliance:

no

H:

0.001 Pa m³/mol

Temp.:

25 °C

Remarks on result:

other: Group estimation

For detailed description on the model and its applicability, see "Any other information on materials and methods incl. tables".

Reference 5

Endpoint:

Henry's law constant

Type of information:

(Q)SAR

Adequacy of study:

supporting study

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

other: Validated QSAR model

Justification for type of information:

QSAR prediction: migrated from IUCLID 5.6

Principles of method if other than guideline:

Calculation based on HENRYWIN v3.20, Estimation Programs Interface Suite™ for Microsoft® Windows v 4.10. US EPA, United States Environmental Protection Agency, Washington, DC, USA.

GLP compliance:

no

H:

0 Pa m³/mol

Temp.:

25 °C

Remarks on result:

other: Bond estimation

For detailed description on the model and its applicability, see "Any other information on materials and methods incl. tables".

Reference 6

Endpoint:

Henry's law constant

Type of information:

(Q)SAR

Adequacy of study:

supporting study

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

other: Validated QSAR model

Justification for type of information:

QSAR prediction: migrated from IUCLID 5.6

Principles of method if other than guideline:

Calculation based on HENRYWIN v3.20, Estimation Programs Interface Suite™ for Microsoft® Windows v 4.10. US EPA, United States Environmental Protection Agency, Washington, DC, USA.

GLP compliance:

no

H:

0 Pa m³/mol

Temp.:

25 °C

Remarks on result:

other: Group estimation

For detailed description on the model and its applicability, see "Any other information on materials and methods incl. tables".

Description of key information

Henry's law constant 1.495E-004 to 2.961 Pa-m3/mol (HENRYWIN v.3.20, Group estimation)
Henry's law constant 1.22E-009 to 0.245 Pa-m3/mol (HENRYWIN v.3.20, Bond estimation)

Additional information

No studies investigating the Henry's law constant of 2 -isocyanatoethyl methacrylate or its degradation products are available.

As these studies are not a standard information requirement in REACH and there is no indication from the CSA on the need to investigate further the fate and behaviour of the substance or its degradation product, no further testing is considered necessary.

However, to estimate PNECsoil by the equilibrium partitioning method, the Henry's law constant was calculated for 2-isocyanatoethyl methacrylate and its degradation products. Therefore, the Henry's law constants were calculated using the QSAR HENRYWIN v.3.20 (Hopp, 2012). The obtained Henry’s law constants range from 1.495E-004 to 2.961 Pa -m3/mol based on group estimation and from 1.22E-009 to 0.245 Pa -m3/mol on bond estimation, for 2-isocyanatoethyl methacrylate and its degradation products. The results indicate that evaporation from water into the atmosphere is either unlikely or is expected to be very slow.