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Diss Factsheets

Administrative data

Endpoint:
vapour pressure
Type of information:
experimental study
Adequacy of study:
key study
Study period:
31 July 2017 to 11 September 2017
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2017
Report date:
2017

Materials and methods

Test guidelineopen allclose all
Qualifier:
according to guideline
Guideline:
OECD Guideline 104 (Vapour Pressure Curve)
Deviations:
no
Qualifier:
according to guideline
Guideline:
EU Method A.4 (Vapour Pressure)
Deviations:
no
Principles of method if other than guideline:
Isothermogravimetry
GLP compliance:
yes (incl. QA statement)
Type of method:
effusion method: isothermal thermogravimetry

Test material

Constituent 1
Reference substance name:
2-Methyl-4-Isothiazolin-3-One Hydrochloride
Cas Number:
26172-54-3
Molecular formula:
C4H5NOS.HCl
IUPAC Name:
2-Methyl-4-Isothiazolin-3-One Hydrochloride
Test material form:
solid
Details on test material:
MIT.HCl as manufacured has a purity of >99.9% therefore the technical grade and analytical grade are identical
Specific details on test material used for the study:
Batch Number 10013913, Purity >99.9%, Expiry Date 30 November 2018
Analytical grade and technical grade material are identical

Results and discussion

Vapour pressureopen allclose all
Key result
Test no.:
#1
Temp.:
ca. 20 °C
Vapour pressure:
ca. 0.777 Pa
Remarks on result:
other: Calculated
Key result
Test no.:
#2
Temp.:
ca. 25 °C
Vapour pressure:
ca. 1 Pa
Remarks on result:
other: calculated

Any other information on results incl. tables

 Temperature

[°C]

  1/T [K] 1000/T [K]   Weight loss [µg/min]  VT[g/cm2h] log VT 

70

70

70

 0.00292  2.91545 

36.02

34.55

33.58

0.004322

0.004146

0.004030 

-2.364275

-2.382371

-2.394738 

80

80

80

 0.00283   2.83286

67.64

68.23

66.62

0.008117

0.008188

0.007994 

-2.090615

-2.86843

-2.097214 

90

90

90

 0.00275   2.75482

139.0

140.3

141.7

0.016680

0.016836

0.017004 

-1.777804

-1.773761

-1.769449 

100

100

100

 0.00268   2.68097

266.9

270.0

270.6

0.032028

0.032400

0.032472 

-1.494470

-1.489455

-1.488491 
 Estimation of VT and PT        log VT/at 20°C  -4.2909427
          log PT/at 20°C  -0.1097542
          PT/at 20°C  0.7766865
          PT[Pa]/at 20°C

 7.77E-01
             
  Estimation of VTand PT       log VT/at 25°C  -4.0721919
        log PT/at 25°C 0.0000000 
        PT/at 25°C  1.0000000
        PT[Pa]/at 25°C  1.00E+00

Applicant's summary and conclusion

Conclusions:
The isothermal thermogravimetric effusion method was applied for the determination of the vapour pressure of 2-Methyl-4-Isothiazolin-3-One Hydrochloride.
A value of the vapour pressure of the test item was determined using the data obtained between 60 °C and 110 °C. The vapour pressure of the test item was calculated (mean of three determinations) to:
7.77 × 10-1 Pa at 20 °C and 1.00 Pa at 25 °C.
Executive summary:

The isothermal thermogravimetric effusion method was applied for the determination of the vapour pressure of 2-Methyl-4-Isothiazolin-3-One Hydrochloride.A value of the vapour pressure of the test item was determined using the data obtained between 60 °C and 110 °C. The vapour pressure of the test item was calculated (mean of three determinations) to:
7.77 × 10-1Pa at 20 °C and 1.00 Pa at 25 °C.