2-isocyanatoethyl methacrylate

Boiling point

Link to relevant study record(s)

Reference

Reference 1

Endpoint:

boiling point

Type of information:

(Q)SAR

Adequacy of study:

weight of evidence

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

other: Accepted calculation method

Justification for type of information:

QSAR prediction: migrated from IUCLID 5.6

Principles of method if other than guideline:

Calculation based on MPBPWIN v1.43, Estimation Programs Interface Suite™ for Microsoft® Windows v4.10. US EPA, United States Environmental Protection Agency, Washington, DC, USA.

GLP compliance:

no

Type of method:

other: QSAR

Boiling pt.:

200.63 °C

Atm. press.:

ca. 1 013

Remarks on result:

other: Adapted Stein and Brown Method

QSAR result; transition/decomposition is not specified/reported. For detailed description of the model and its applicability, see "Any other information on materials and methods incl. tables".

Reference 2

Endpoint:

boiling point

Type of information:

(Q)SAR

Adequacy of study:

weight of evidence

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

other: Accepted calculation method

Justification for type of information:

QSAR prediction: migrated from IUCLID 5.6

Principles of method if other than guideline:

Calculation based on SPARC online calculator v 4.6, University of Georgia (http://archemcalc.com/sparc/)

GLP compliance:

no

Type of method:

other: QSAR

Boiling pt.:

213 °C

Atm. press.:

ca. 1 013 hPa

Boiling pt.:

65.34 °C

Atm. press.:

ca. 3.47 hPa

QSAR result; transition/decomposition is not specified/reported. For detailed description of the model and its applicability, see "Any other information on materials and methods incl. tables".

Reference 3

Endpoint:

boiling point

Type of information:

experimental study

Adequacy of study:

weight of evidence

Study period:

27 July 1995

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Reason / purpose for cross-reference:

reference to same study

Qualifier:

according to guideline

Guideline:

EU Method A.2 (Boiling Temperature)

Principles of method if other than guideline:

The boiling point was determined on the reduced pressure.

GLP compliance:

no

Type of method:

distillation method

Remarks:

BS4591

Boiling pt.:

58.1 °C

Atm. press.:

0.347 kPa

Decomposition:

yes

Decomp. temp.:

ca. 58.1 °C

Remarks on result:

other: Decomposition due to the polymerisation reaction

	Observed boiling point
Test1	58.3 °C (0.347 kPa)
Test2	57.9 °C (0.347 kPa)
Mean	58.1 °C (0.347 kPa)

Description of key information

200-213 °C at ca. 1013 hPa, 65.3 °C at ca. 3.47 hPa (calculated values)
58 °C at ca. 3.47 hPa (experimental result)

Key value for chemical safety assessment

Boiling point at 101 325 Pa:

207 °C

Additional information

Due to the thermal instability (starts to polymerise at 141.5 °C at ca.1013 hPa) of the substance Methacryloxyethyl isocyanate  (CAS 30674-80-7) the boiling point of the substance was determined by the distillation method on reduced pressure (3.47 hPa). To support the experimental values the calculations using SPARC (v.4.6) were done on the same condition (3.47 Pa) as well as on normal pressure (1013 hPa). The calculated values are comparable with experimental results. For this reason would be assumed, that the test substance has the same vapor pressure (ca. 200 °C) at 1013 hPa.