Hydrogen (glycinato-N,O)[sulphato(2-)-O,O']ferrate(1-)

Vapour pressure

Link to relevant study record(s)

Reference

Endpoint:

vapour pressure

Type of information:

experimental study

Adequacy of study:

key study

Study period:

2020-02-04

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
EPISUITE v4.11
2. MODEL (incl. version number)
MPBPWIN v1.43 (September 2010)
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
SMILES: O=C(O)CN
CAS: 56-40-6
4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
Please refer to the document in 'attached justification'
5. APPLICABILITY DOMAIN
Please refer to the document in 'attached justification'
6. ADEQUACY OF THE RESULT
Please refer to the document in 'attached justification'

Qualifier:

no guideline followed

Principles of method if other than guideline:

Vapour pressure was determined by QSAR calculation using EpiSuite Software and the MPBPWIN v1.43 (September 2010) model.

GLP compliance:

no

Type of method:

other: QSAR prediction

Key result

Test no.:

#1

Temp.:

25 °C

Vapour pressure:

0 Pa

Conclusions:

The vapour pressure of glycine was determined by QSAR calculation using EPiSuite software and the MPBPWIN v1.43 (September 2010)model. The vapour pressure of glycine is 1.09E-005 Pa at 25 °C.

Executive summary:

The vapour pressure of glycine was determined by QSAR calculation using EPiSuite software and the MPBPWIN v1.43 (September 2010)model. The vapour pressure of glycine is 1.09E-005 Pa at 25 °C. Based on the ionic structure the vapour pressure of Ferroglycine sulfate is considered to be lower as the respective value for glycine. The calculated value cannot be determined experimentally for glycine either due to residual content of solvent (water) which results in a higher solvent vapour pressure than test substance vapour pressure. The residual content of solvent cannot be reduced below the limit of measurement with reasonable effort. As this is also the case for Ferroglycine sulfate the vapour pressure of glycine is used for further assessment of the substance as the closest approximation.

Description of key information

The vapour pressure of glycine was determined by QSAR calculation using EPiSuite software and the MPBPWIN v1.43 (September 2010)model. The vapour pressure of glycine is 1.09E-005 Pa at 25 °C.

Key value for chemical safety assessment

Vapour pressure:

0 Pa

at the temperature of:

25 °C

Additional information

There are no data for the test item ferrous monoglycinate sulfate regarding the vapour pressure. The test item Ferrous monoglycinate sulfate is an organometallic compound. The iron ion (Fe2 +) is chelated by glycine. The determination of the vapour pressure is difficult for metal ions and cannot be conducted without reasonable effort. The vapour pressure of iron was reported to be 7.05 Pa at 1535 °C. However, based on the reduction state of the chelated iron, the vapour pressure cannot be determined. Thus, the vapour pressure is estimated based on a QSAR calculation for the ligand glycine.The vapour pressure of glycine was determined by QSAR calculation using EPiSuite software and the MPBPWIN v1.43 (September 2010)model. The vapour pressure of glycine is 1.09E-005 Pa at 25 °C. Hence, the vapour pressure of this constituent of the complex is used for further risk assessments.