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Vapour pressure

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Reference
Endpoint:
vapour pressure
Type of information:
(Q)SAR
Adequacy of study:
key study
Study period:
April 2018
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
Justification for type of information:
1. SOFTWARE
EPI Suite v.4.11
2. MODEL (incl. version number) - MPBPVP v1.43
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
SMILES : O=C(CN(CC(=O)O[Na])CCN1CC(=O)O[Mn]OC(=O)CN(CC(=O)O[Na])CC1)O[Na]
MOL FOR: C14 H18 N3 O10 Na3 Mn1
MOL WT : 512.22
CAS: 11065-74-0
https://www.epa.gov/tsca-screening-tools/using-predictive-methods-assess-exposure-and-fate-undertsca
Principles of method if other than guideline:
Result obtained by calculation in computer program EPI Suite v.4.11
Type of method:
other: calculation in computer program EPI Suite v.4.11
Temp.:
25 °C
Vapour pressure:
0 mm Hg
Temp.:
25 °C
Vapour pressure:
0 Pa

Vapor Pressure Estimations (25 deg C):

 (Using BP: 863.72 deg C (estimated))

 (Using MP: 349.84 deg C (estimated))

   VP: 4.2E-039 mm Hg (Antoine Method)

     : 5.6E-037 Pa (Antoine Method)

   VP: 1.12E-021 mm Hg (Modified Grain Method)

     : 1.49E-019 Pa (Modified Grain Method)

   VP: 6.48E-021 mm Hg (Mackay Method)

     : 8.64E-019 Pa (Mackay Method)

 Selected VP: 1.12E-021 mm Hg (Modified Grain Method)

            : 1.49E-019 Pa (Modified Grain Method)

 Subcooled liquid VP: 5.74E-018 mm Hg (25 deg C, Mod-Grain method)

                    : 7.66E-016 Pa (25 deg C, Mod-Grain method)

Conclusions:
The vapour pressure estimated by computer program EPI Suite v.4.11 is 1.49E-019 Pa at 25oC.
Executive summary:

The EPI Suite v.4.11 computer program was used for vapour pressure estimation for substance

DTPA-MnNa3. The value 1.49E-019 Pa at 25oC was calculated.

Description of key information

The EPI Suite v.4.11 computer program was used for vapour pressure estimation for substance

DTPA-MnNa3. The value 1.49E-019 Pa at 25oC was calculated.

Key value for chemical safety assessment

Vapour pressure:
0 Pa
at the temperature of:
25 °C

Additional information