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EC number: 813-880-3 | CAS number: 2055396-18-2
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:
- accepted calculation method
- 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=C1CN(CC(=O)O)CCN2CC(=O)O[Fe](OC(=O)CN(CC(=O)OK)CC2)O1
MOL FOR: C14 H19 N3 O10 K1 Fe1
MOL WT : 484.26
CAS: 2055396-18-2
https://www.epa.gov/tsca-screening-tools/using-predictive-methods-assess-exposure-and-fate-under-tsca - Qualifier:
- no guideline required
- Principles of method if other than guideline:
- Calculation in computer program EpiSuite MPBPWIN v1.43
- Type of method:
- other: calculation in computer program
- Temp.:
- 25 °C
- Vapour pressure:
- 0 mm Hg
- Remarks on result:
- other: Modified Grain Method
- Temp.:
- 25 °C
- Vapour pressure:
- 0 Pa
- Remarks on result:
- other: Modified Grain Method
- Conclusions:
- The EPI Suite v.4.11 MPBPVP v1.43 computer program was used for vapor presure estimation for substance DTPA-FeK. The value 1.36E-007 mm Hg and 1.82E-005 Pa were calculated.
- Executive summary:
The EPI Suite v.4.11 MPBPVP v1.43 computer program was used for vapor presure estimation for substance DTPA-FeK. The value 1.36E-007 mm Hg and 1.82E-005 Pa were calculated.
Reference
Vapor Pressure Estimations (25 deg C):
(Using BP: 439.86 deg C (estimated))
(Using MP: 146.26 deg C (estimated))
VP: 1.36E-008 mm Hg (Antoine Method)
: 1.82E-006 Pa (Antoine Method)
VP: 1.36E-007 mm Hg (Modified Grain Method)
: 1.82E-005 Pa (Modified Grain Method)
VP: 1.16E-007 mm Hg (Mackay Method)
: 1.54E-005 Pa (Mackay Method)
Selected VP: 1.36E-007 mm Hg (Modified Grain Method)
: 1.82E-005 Pa (Modified Grain Method)
Subcooled liquid VP: 2.31E-006 mm Hg (25 deg C, Mod-Grain method)
: 0.000308 Pa (25 deg C, Mod-Grain method)
Description of key information
The EPI Suite v.4.11 MPBPVP v1.43 computer program was used for vapor presure estimation for substance DTPA-FeK. The value 1.36E-007 mm Hg and 1.82E-005 Pa were calculated.
Key value for chemical safety assessment
- Vapour pressure:
- 0 Pa
- at the temperature of:
- 25 °C
Additional information
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
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