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Henry's Law constant

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Description of key information

From the water surface, the main components of AMIX TE (CAS 68953 -70 -8) will not evaporate into the atmosphere.

Key value for chemical safety assessment

Additional information

QSAR-Disclaimer

In Article 13 of Regulation (EC) No 1907/2006, it is laid down that information on intrinsic properties of substances may be generated by means other than tests, provided that the conditions set out in Annex XI (of the same Regulation) are met. Furthermore according to Article 25 of the same Regulation testing on vertebrate animals shall be undertaken only as a last resort.

 

According to Annex XI of Regulation (EC) No 1907/2006 (Q)SAR results can be used if (1) the scientific validity of the (Q)SAR model has been established, (2) the substance falls within the applicability domain of the (Q)SAR model, (3) the results are adequate for the purpose of classification and labeling and/or risk assessment and (4) adequate and reliable documentation of the applied method is provided.

 

For the assessment of AMIX TE (CAS 68953 -70 -8) (Q)SAR results for the three main components of the UVCB were used for the estimation of the Henry’s Law constant. The criteria listed in Annex XI of Regulation (EC) No 1907/2006 are considered to be adequately fulfilled and therefore the endpoint(s) sufficiently covered and suitable for risk assessment.

 

Therefore, further experimental studies on the Henry’s Law Constant are not provided.

 

Assessment

The Henry's Law Constant was calculated using HENRYWIN v3.20 (EPI Suite v4.11, US EPA, 2012; BASF SE, 2017). All three substances were out of the applicability domain as the maxmimum number of one fragment and one correction factor were slightly exceeded. Based on the calculated data the three main components are assessed to not evaporate into the atmosphere from the water surface. In addition, as the chemicals are ionized at environmentally relevant pH levels, evaporation of the dissolved fraction of the substances into the atmosphere are assessed to be negligible.

Since “oxirane, reaction products with ammonia, distn. residues" (CAS 68953-70-8, AMIX TE) is a mixture consisting of a variety of components a single HLC value cannot be calculated. Therefore, the volatility was estimated on the basis of the calculated HLC values of the main components of this mixture using the bonding method of the HENRYWIN v3.20 module of SRC EPI Suite v4.11. These estimates refer to the uncharged molecules. The individual values are listed below: 

CAS no.

Typical conc.

HLC (Pa * m³ / mol)

Applicability domain

102-71-6

86%

4.23E-7

not in AD

17626-34-5

6%

6.58E-9

not in AD

55468-09-2

7%

2.10E-13

not in AD

 

Taking these estimated values, it can be concluded that the three main constituents of AMIX TE will not evaporate into the atmosphere.

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