Carbamodithioic acid, bis(mixed 2-ethylhexyl and 2-methylbutyl and pentyl) derivs., antimony (3+) salts

Vapour pressure

Administrative data

Endpoint:

vapour pressure

Type of information:

experimental study

Adequacy of study:

key study

Study period:

12 October 2020 thru 15 October 2020

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Data source

Reference

Title:

Unnamed

Year:

2020

Report date:

2020

Materials and methods

Test guideline

Test guideline 1

Qualifier:

according to guideline

Guideline:

OECD Guideline 104 (Vapour Pressure Curve)

Deviations:

no

Test guideline 2

Qualifier:

according to guideline

Guideline:

EPA OPPTS 830.7950 (Vapor Pressure)

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Type of method:

spinning rotor

Test material

Test material information

Constituent 1

Reference substance name:

Carbamodithioic acid, bis(mixed 2-ethylhexyl and 2-methylbutyl and pentyl) derivs., antimony (3+) salts

Molecular formula:

C33H66N3S6Sb to C51H102N3S6Sb

IUPAC Name:

Carbamodithioic acid, bis(mixed 2-ethylhexyl and 2-methylbutyl and pentyl) derivs., antimony (3+) salts

Test material form:

liquid: viscous

Specific details on test material used for the study:

PYSICAL DESCRIPTION: Highly viscous amber liquid.

PURITY: >99%

SOURCE OF TEST MATERIAL
- Source and lot/batch number of test material: WT05-19
- Expiration date of the lot/batch: not applicable

STABILITY AND STORAGE CONDITIONS OF TEST MATERIAL
- Storage condition of test material: room temp.
- Stability under storage conditions: stable for the duration of testing.

Avg. Molecular Weight Used for the study: 910.06 g/mol

Results and discussion

Vapour pressure

Vapour pressure 1

Key result

Temp.:

20 °C

Vapour pressure:

0.001 Pa

Remarks on result:

other: Recalculated using Avg. MW=861.92 g/mol

Vapour pressure 2

Temp.:

20 °C

Vapour pressure:

0.001 Pa

Remarks on result:

other: As reported using Avg. MW=910.06 g/mol

Any other information on results incl. tables

Temperature (°C)	Molecular Weight (g/mol)	Measured Vapor Pressure (Pa)	Min/Max Temperature (°C)	Mean Measured Vapor Pressure (Pa)	Standard Deviation (Pa)	Coefficient of Variation (CV)
20	910.06	1.43 x 10^-3	20.07/20.19	9.90 x 10 ^-^4	4.0 x 10^-4	40%
		8.78 x 10^-4	20.14/20.25
		6.61 x 10^-4	20.10/20.22

The CV for the vapor pressure determination of the test substance at 20 ± 1°C was higher than the estimated repeatability criteria for the SRG method (i.e. 10 to 20%) in the OPPTS 830.7950 and OECD 104 guidelines. Higher variability often occurs for mixtures or less pure materials. This higher variability might also be attributed to the very low vapor pressure of the test material. Per the OPPTS 830.7950 and OECD 104 guidelines, the recommended range of the SRG method is 10E-04 to 0.5 Pa (1,2). The vapor pressure of the test substance is at the bottom of this range.

The average molecular weight (MW) of 910.06 g/mol was provided in error by the study sponsor. A MW of 861.92 g/mol was originally provided then later "corrected" to 910.06 g/mol. The original value of 861.92 g/mol was then later determined to be correct after all but was not corrected in the study report. Using a MW of 861.92 and the equations provided in the study report would have resulted in a vapour pressure of 1.017E-03 Pa at 20 deg C. Given that the MW is a theoretical calculated average and given that this vapour pressure is still at the lower limit of the method, it was considered unnecessary to revise the report as written.

Applicant's summary and conclusion

Conclusions:

The measured vapour pressure of the test item was determined to be 1.017E-03 Pa at 20 deg C.

Executive summary:

In an OECD Method 104 guideline study conducted under GLP conditions using the spinning rotor method, the vapour pressure of the test item was determined to be 1.017E-03 Pa at 20 deg C.