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EC number: 235-935-5
CAS number: 13052-09-0
results and evaluation
Antoine curve of the test substance could not be constructed because no
boiling point could be found below 8 Pa (Lower pressure limit of test
apparatus). The decomposition temperature was already reached. In the
following chapters, an extrapolation is done down from the p,T- pair at
the decomposition temperature to 25°C. An extrapolation is done to
determine the maximum expectable vapour pressure at 25°C. The
slope, used for this extrapolation is derived from existing data. The
real vapour pressure is expected to be lower than the extrapolated
Vapourpressure and heat of vaporization were
calculated using Advanced Chemistry Development (ACD/Labs) Software
Results of these calculations are:
at 25 °C
of vaporization 73.38+/-3.0 kJ/mol
at 760 Torr (is atmospheric pressure).
A vapour pressure measurement was carried
out on the test substance. This was a DSC heating experiment carried out
at an absolute pressure of 0.080 mBar (8 Pa).
No boiling effects were observed below 96°C.
A fast decomposition occurred above 96°C.
Based on this test it can be concluded that the vapourpressure of test
substance is below 0.080 mBar at 96°C.
Relation between vapourpressure and
temperature is given by the Clausius-Clapeyron equation:
Ln P/P0= (- dHvap/R)
*(1/T – 1/T0)
the pressure to be calculated at 25°C in mBar
the pressure at 96°C; in this case below 0.080 mBar or 8.0 Pa.
the heat of vaporization; 73380±3000 J/mol as calculated by ACD/Labs
the gas constant; 8.314 J/mol.K
298.15K (or 25°C)
369.15K (or 96°C)
The calculated vapourpressure of the test
substance at 25°C, P is below 3.40·10-2Pa
(corrected for worst case error inΔHvap. ΔHvap.
= 73380 J/mole).
Based on DSC measurement, it cannot be
concluded that the vapourpressure of the test substance is just or
farbelow 0.034 Pa.
Relation between vapour pressure
and mol weight applied to estimate the vapour pressure of the test
It is a well known principle in the field of
physical chemistry that substances with a high mol weight have a low
vapour pressure. This relation is given in the chart below for different
types of organic components.
Relation for linear, non polar organic
in the range of C5H12to C20H42are
the non polar substances for this comparison. See the blue dots in the
chart. Vapourpressure data is collected from the REACH document as given
in reference [9.1]. All these data are given at 25°C, instead of 20°C.
Relation for linear, polar organic
A high polar organic substance will have a
lower vapourpressure than a non polar substance with the same mol
weight. This is shown in the chart by comparing the non polar alkanes
with the polar alcohols.
The linear alcohols, ethanol, 1-butanol,
1-hexanol, 1-decanol and 1-dodecanol, are the polar substances for this
comparison. See the red dots in the chart. Data is collected from
Handbook of the Thermodynamics of Organic Compounds, R.M. Stephenson, S.
Malanowski, Elsevier Scientific Publishing Co. Inc, 1987
Relation for branched organic substances.
It is also a well known principle that branched
substances with a certain mol weight have a higher vapourpressure
than linear substances with a corresponding mol weight. Organic
peroxides are the branched substances that are compared with the linear
substances. The data of organic peroxides is shown as green triangles in
the chart in the attachment
A table of the applied substances with the
vapourpressure data is given in the attachment
The mol weight of the test substance is
430.62. Extrapolation of the dotted lines in the chart to the mol weight
of the test substance will result in a vapourpressure in the range of1*10-6Pa
to 1*10-9Pa. The calculated vapourpressure according to
ACD/Labs is also given in the chart; the red dot in the lower right
The ACD/Labs calculation method: Pvap=
6.27*10-7Pa at 25 °C.
DSC method in combination with the
calculated heat of evaporation: Pvap< 3.40·10-2Pa
at 25 °C.
From the relation between vapourpressure and
mol weight: Pvapin the range of 1*10-6to 1*10-9Pa
at 25 °C.
Based on these three results one can
conclude that the vapourpressure of the test substance at 25°C will most
likely be in the range of 1*10-7Pa to 1*10-9Pa.
The value of 1*10-6Pa is based on the ACD/Labs calculation.
The vapourpressure of the test substance at
25°C will surely be below 0.01 Pa (or 0.1 µBar).
The vapourpressure of
determined according to ASTM E1782-08 . This method is not
included in EC Regulation No 761/2009, Guideline A.4 , but it is
expected that this will occur in the near future. In 2010 a request for
inclusion was sent to the Dutch National Coordinator for EC Test Methods.
The vapour pressure of test substance at
25°C is derived from calculated and experimental data.
The vapour pressure of the test
substance at 25°C is well below 0.01 Pa or 0.1 µBar.
(In the range of 10-6– 10-9Pa).
The vapour pressure of 1,1,4,4-tetramethylbutane-1,4-diyl
bis(2-ethylperoxyhexanoate) at 25°C is well below 0.01 Pa.
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.
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