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Physical & Chemical properties

Vapour pressure

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Administrative data

Endpoint:
vapour pressure
Type of information:
calculation (if not (Q)SAR)
Adequacy of study:
key study
Study period:
2018
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
accepted calculation method
Justification for type of information:
1. SOFTWARE
EpiSuite / MPBPWIN

2. MODEL (incl. version number)
EpiSuite 4.1
MPBPWIN version 1.43

3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
CAS : 72208-20-9

4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
See attachment

5. APPLICABILITY DOMAIN
See attachment

6. ADEQUACY OF THE RESULT
See attachment

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2018

Materials and methods

Principles of method if other than guideline:
Calculation of vapour pressure at 20°C modules embedded in MPBWIN v.1.43
MPBPWIN estimates vapor pressure (VP) by three separate methods: (1) the Antoine method, (2) the modified Grain method, and (3) the Mackay method. All three use the normal boiling point to estimate VP. Unless the user enters a boiling point on the data entry screen, MPBPWIN uses the estimated boiling point from the adapted Stein and Brown method.
GLP compliance:
no
Type of method:
other: calculation

Test material

Reference
Name:
Unnamed
Type:
Constituent

Results and discussion

Vapour pressure
Key result
Test no.:
#1
Temp.:
25 °C
Vapour pressure:
0 Pa
Remarks on result:
other: Modified Grain Method

Applicant's summary and conclusion

Conclusions:
The calculated vapour pressure at 25°C calculated according to the Modified Grain Method to be 8.07E-9 Pa