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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

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Physical & Chemical properties

Vapour pressure

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Administrative data

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Reference
Endpoint:
vapour pressure
Type of information:
(Q)SAR
Adequacy of study:
key study
Study period:
2017-09-28
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 limited 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(CC1C(=O)(O[Ca]([Na])OC(=O)(C(CC(=O)O([Na]))N1)))O
MOL FOR: C8 H8 N1 O8 Na2 Ca1
MOL WT : 332.21
CAS: 1629244-35-4

https://www.epa.gov/tsca-screening-tools/using-predictive-methods-assess-exposure-and-fate-under-tsca
Reason / purpose for cross-reference:
(Q)SAR model reporting (QMRF)
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
Test no.:
#1
Temp.:
25 °C
Vapour pressure:
0 Pa
Remarks on result:
other: Mogified Grain method
Conclusions:
The vapour pressure estimated by computer program EPI Suite v.4.11 is 3.63E-20 at 25oC.
Executive summary:

The EPI Suite v.4.11 computer program was used for vapour pressure estimation for substance CaIDHA. The value 3.63E-20 at 25oC was calculated.

Description of key information

Key value for chemical safety assessment

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

Additional information

The vapour pressure for CaIDHA was estimated by computer program EPI Suite v.4.11.