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EC number: 234-282-3 | CAS number: 11065-74-0
Vapour pressure
Administrative data
Link to relevant study record(s)
- 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
- 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.
Reference
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)
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
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