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Physical & Chemical properties

Vapour pressure

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Endpoint:
vapour pressure
Type of information:
experimental study
Adequacy of study:
key study
Study period:
Testing was conducted on 1 September 1981
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
study well documented, meets generally accepted scientific principles, acceptable for assessment
Qualifier:
according to guideline
Guideline:
OECD Guideline 104 (Vapour Pressure Curve)
Version / remarks:
static method
GLP compliance:
no
Type of method:
static method
Specific details on test material used for the study:
- Appearance: Colorless to light yellow liquid
- Storage conditions: Room temperature in the dark, under nitrogen
Key result
Temp.:
20 °C
Vapour pressure:
18 Pa
Remarks on result:
other: extrapolated value
Temp.:
25 °C
Vapour pressure:
27 Pa
Remarks on result:
other: extrapolated value

Antoine Formula of test item:

 

Log P = 7.73674 + 2135.48 / (t +228.326)

 

P : Vapor pressure of MOI [mmHg]

t : Temperature [°C]

 

By this formula, we obtained the vapor pressure at 20°C, 25°C.

 

Conclusion:

27 Pa at 298.15K (25 °C), 18 Pa at 293.15K (20 °C), using a static method.

 

Endpoint:
vapour pressure
Type of information:
experimental study
Adequacy of study:
supporting study
Study period:
23 March 2006
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
study well documented, meets generally accepted scientific principles, acceptable for assessment
Qualifier:
no guideline followed
Principles of method if other than guideline:
Thermogravimetry measurements with measurements at several temperatures and linear regression analysis. Testing was conducted using Fick's diffuision equation (Fick A., Ann. Physik, Leipzig, 170, pp 59, 1855).
GLP compliance:
no
Type of method:
other: thermogravimetry
Key result
Temp.:
20 °C
Vapour pressure:
23.3 Pa
Remarks on result:
other: extrapolated value
Temp.:
25 °C
Vapour pressure:
34.7 Pa
Remarks on result:
other: extrapolated value

Run1

Temperature

(°C)

Mass Difference

(μg/min)

ｐ(Pa)

log10p

1/(t+273)

52.9

26.0

228.0

2.358

0.003068

71.9

80.0

682.1

2.834

0.002899

91.5

229.0

1899.2

3.279

0.002743

101.4

364.0

2978.7

3.474

0.002671

111.4

568.0

4587.2

3.662

0.002601

 

Run2

Temperature

(°C)

Mass Difference

(μg/min)

ｐ(Pa)

log10p

1/(t+273)

52.5

25.0

219.4

2.341

0.003072

71.5

78.0

665.4

2.823

0.002903

91.4

227.0

1882.9

3.275

0.002744

101.2

365.0

2987.7

3.475

0.002672

111.2

571.0

4612.6

3.664

0.002603

 

Run3

Temperature

(°C)

Mass Difference

(μg/min)

ｐ(Pa)

log10p

1/(t+273)

52.9

25.0

219.3

2.341

0.003068

71.9

80.0

682.1

2.834

0.002899

91.5

228.0

1890.9

3.277

0.002743

101.4

363.0

2970.5

3.473

0.002671

111.5

565.0

4562.4

3.659

0.002601

 

 

Run1

Run2

Run3

Correlation

0.999

0.999

0.999

Slope

-2799.4

-2842.6

-2827.2

Intercept

10.95

11.02

11.02

Vp (Pa) at 25 °C

36.0

34.0

34.1

Vp (Pa) at 20 °C

25.15

21.05

23.75

 

The mean value of vapour pressure is calculated to be 23.3 Pa at 20 °C and 34.7 Pa at 25 °C.

Endpoint:
vapour pressure
Type of information:
(Q)SAR
Adequacy of study:
other information
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
Temp.:
25 °C
Vapour pressure:
46.6 Pa
Remarks on result:
other: Mean value of Antoine & Grain methods

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".

Endpoint:
vapour pressure
Type of information:
(Q)SAR
Adequacy of study:
supporting study
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
Temp.:
25 °C
Vapour pressure:
24.77 Pa
Temp.:
20 °C
Vapour pressure:
14.45 Pa

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".

Description of key information

18 Pa at 20°C (OECD 104, static method)
    
    
    

OECD 104 with static method










    
  
  
  

OECD 104 with static method












 
    
  




OECD 104 with static method
















    
  





OECD 104 with static method

Key value for chemical safety assessment

Vapour pressure:
18 Pa
at the temperature of:
20 °C

Additional information

The vapour pressure of the substance 2-isocyanatoethyl methacrylate (CAS 30674-80-7) 18 Pa at 20 °C was determined according to OECD 104 with static method (2016, study no. MOI-20160407). The extrapolated result 23.3 Pa at 20 °C from thermogravimetric analysis (2012, study no. MOI-20120308) supports the value of the static method. The QSAR result 14.5 Pa at 20 °C with (SPARC v4.6) assists the experimental values.