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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Physical & Chemical properties

Water solubility

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Administrative data

Link to relevant study record(s)

Reference
Endpoint:
water solubility
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) - WATERNET
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:
calculation in computer programm
Water solubility:
1 000 g/L
Temp.:
25 °C
pH:
7
Conclusions:
The calculated water solubility for DTPA-MnNa3 is 1000 g/L (1e+006 mg/L).
Executive summary:

The water solubility has been calculated by usisng computer program EPI Suite 4.11. The calculated value for DTPA-MnNa3 is 1000 g/L (1e+006 mg/L).

Description of key information

The water solubility has been calculated by usisng computer program EPI Suite 4.11. The calculated value for DTPA-MnNa3 is 1000 g/L (1e+006 mg/L).

Key value for chemical safety assessment

Water solubility:
1 000 g/L
at the temperature of:
25 °C

Additional information