tetrasodium 4-{4-[(9,10-dioxo-4-{[4-(2-sulfophenoxy)phenyl]amino}-9,10-dihydroanthracen-1-yl)amino]phenoxy}benzene-1-sulfonate 4-{4-[(9,10-dioxo-4-{[4-(4-sulfophenoxy)phenyl]amino}-9,10-dihydroanthracen-1-yl)amino]phenoxy}benzene-1-sulfonate

Vapour pressure

Link to relevant study record(s)

Reference

Endpoint:

vapour pressure

Type of information:

experimental study

Adequacy of study:

key study

Study period:

2014

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

OECD Guideline 104 (Vapour Pressure Curve)

Qualifier:

according to guideline

Guideline:

EU Method A.4 (Vapour Pressure)

GLP compliance:

yes (incl. QA statement)

Type of method:

effusion method: isothermal thermogravimetry

Specific details on test material used for the study:

Name: FAT 21030/E TE
Batch Number: AT-0027801200
Water content: ≤ 10 % (w/w)
Melting Point: 241 °C
Physical Appearance at 20 °C/ Colour: Solid / Black
Date of Analysis: January 23, 2014
Certificate of Analysis Date: April 23, 2014
Expiry Date: January 20, 2019
Storage: At room temperature (20 °C ± 5 °C), under dark and dry conditions

Remarks on result:

other: Due to test item properties, vapour pressure of test item could not be determined using the data obtained above and the below melting point.

Conclusions:

Due to test item properties a value of the vapour pressure of the test item could not be determined using the data obtained above and the below melting point.

Executive summary:

The vapour pressure of the test item was determined using the isothermal thermogravimetrical effusion method mentioned in OECD test guideline 104. The evaporation rates of the test item at elevated temperatures and ambient pressure were determined by monitoring the weight loss.

The isothermal thermogravimetric effusion method was applied for the determination of the vapour pressure of FAT 21030/E TE. According to sponsor information (Report Determination of the melting point), the melting point of the test item is 241 °C. Below the melting point of the test item, no significant weight loss was observed or the weight loss was not reproducible. In this temperature range, the vapour pressure cannot be determined with sufficient accuracy. The method was adopted and the measurements were done above the melting point. The weight loss above the melting point was observed, but was not reproducible. Due to test item properties a value of the vapour pressure of the test item could not be determined using the data obtained above and the below melting point in the experiment. Therefore the expert statement was issued.

Description of key information

 The vapour pressure of the organic constituents of the FAT 21030/E was estimated to be 2.21E-29 Pa at 25 °C (Modified Grain Method) with the MPBPVP from EpiSuite; while it was estimated to be 3.98E-31 Pa at 20 °C using SPARC (2014 Alchemy LLC). Hence it is expected that the vapour pressure of the test substance in total will be governed by the vapour pressure of the water contents, which is high in comparison with the vapour pressures of all other constituents of the test substance. 

Additional information

Due to test item properties (multi-constituent substance) a value of the vapour pressure of the test item could not be determined using the data obtained above and the below melting point. To provide for additional evidence the probable value of the vapour pressure of FAT 21030/E TE was assessed through expert judgement.

The description of substance:

Main Constituent 1:≥40 -≤70 % (w/w) Main Constituent 2:≥20 -≤30 % (w/w)

Water:≤10 % (w/w)

Unidentified Inorganic impurities:≤30 % (w/w)

Unidentified Organic impurities:≤30 % (w/w)

Based on the structural features of the test substance constituents, a low vapour pressure may be expected. It was assumed that all inorganic and organic impurities will not contribute significantly to the vapour pressure of the test substance.

Vapour pressure of water (≤10 % (w/w)) was reported to be 2338.8 Pa in the publicly available literature, while2.21 x10^-29 Pa at 25 °C (Modified Grain Method) and3.98 x 10^-31Pa at 20 °C were the vapour pressures estimated for the main consituents with the MPBPVP from EpiSuite and SPARC (2014 Alchemy LLC).

Based on the above findings, it was concluded that even under the most unfavourable conditions the vapour pressure of the organic constituents of the test substance will be significantly below 10^-10 Pa. It can therefore be expected that the vapour pressure of the test substance in total will be governed by the vapour pressure of the water contents, which is high in comparison with the vapour pressures of all other constituents of the test substance.