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EC number: 442-730-6
CAS number: 35132-93-5
The following table shows the output of the MPBPVP calculations.
Selected vapour pressure: 1.59 x 10-17Pa
MOL FOR: C16 H38 N2 O2
MOL WT : 290.49
Boiling Point: 674.91 deg C (Adapted Stein and Brown Method)
Melting Point: 349.84 deg C (Adapted Joback Method)
Melting Point: 280.42 deg C (Gold and Ogle Method)
Mean Melt Pt : 315.13 deg C (Joback; Gold,Ogle Methods)
Selected MP: 294.30 deg C (Weighted Value)
Vapor Pressure Estimations (25 deg C):
(Using BP: 674.91 deg C (estimated) and Using MP: 294.30 deg C (estimated))
VP: 2.85E-025 Pa (Antoine Method)
VP: 1.59E-017 Pa (Modified Grain Method)
VP: 4.67E-013 Pa (Mackay Method)
Selected VP: 1.59E-017 Pa (Modified Grain Method)
Subcooled liquid VP: 1.58E-014 Pa (25 deg C, Mod-Grain method)
Boiling point estimates
RESULT-uncorr BOILING POINT in deg Kelvin
RESULT-corr BOILING POINT in deg Kelvin
BOILING POINT in deg C
Melting point estimates
RESULT MELTING POINT in deg Kelvin
RESULT-limit MELTING POINT in deg Kelvin
MELTING POINT in deg C
MPBPVP estimates a vapour pressure for the active component of the
manufactured substance (C-Quart) of 1.59 x 10-17Pa based on
the most appropriate modified Grain method. This value is between the
values estimated with the other two (less well suited) methods (4.67 x 10-13Pa
(Mackay method) and 2.85 x 10-25Pa (Antoine Method)). The
boiling points and melting points entering the estimate are different
from the ones entered in this dossier, since the values reported here
are for neat C-Quart, while those reported in this dossier are for the
substance as manufactured and placed on the market.
MPBPVP does not correctly represent C-Quart with the two
positively charged nitrogen atoms, since the model is not able to
properly represent the structure. However, the software correctly
identifies the fragment as ‘>N< (+5)’. It is also obvious that this
fragment is largely responsible for the high melting and boiling points
estimated. As is evident from the extract of the help file of MPBPVP,
coefficients for this fragment were derived by Syracuse Research
Corporation from representative compounds after the original derivation.
No further details on these evaluations are available.
While these estimates are therefore somewhat uncertain, it appears
safe to assume that the vapour pressure of C-Quart is below 1 x 10-3Pa.
This upper end, which is 14 orders of magnitude higher than the
estimated vapour pressure, is chosen for risk assessment purposes.
Vapour pressure = 0.001 Pa
No traces of the active component of the manufactured substance (15.5 %
active component) were found in the gas-phase above the solution. There
is no volatile compound to detect, thus confirming the very low value of
the vapour pressure estimated by QSAR.
Due to the nature of the substance, the vapour pressure was estimated
with MPBPVP (v. 1.43), a valid well-documented model. The vapour
pressure was estimated to be 1.59 x 10-17 Pa at 25 °C. Due to
the uncertainties involved, an upper end estimate of < 0.001 Pa (0.001
Pa used for risk assessment purposes) was derived. The low degree of
volatilisation is supported by headspace GC/MS analyses, which did not
find any traces of the active component of the manufactured substance
(15.5 % active component) in the gas-phase above the solution.
Since the active component (C-Quart) cannot be isolated without
decomposition and does not exist in a pure form, the vapour pressure was
estimated with MPBPVP (v. 1.43), a valid well-documented model. The
vapour pressure was estimated to be 1.59 x 10-17 Pa at 25 °C.
Due to the uncertainties involved, an upper end estimate of < 0.001 Pa
was derived. A value of 0.001 Pa is used for risk assessment purposes.
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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