Registration Dossier
Registration Dossier
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EC number: 940-730-5 | CAS number: -
Endpoint summary
Administrative data
Description of key information
Discussion of physicochemical properties of whole substance
The substance is a complex mixture of hydrocarbons with carbon numbers in the range C15 to C19. It is a liquid, with a pour point of less than 0°C and a boiling range of 289-307°CC at 101.8 kPa. The measured relative density of the substance is 0.783 at 20±0.5°C and measured kinematic viscosity values are 4.7 mm²/s at 25ºC and 3.3 mm²/s at 40ºC .
The substance has measured vapour pressure values of 0.04 Pa at 20°C, 0.08 Pa at 25ºC and 1.5 Pa at 50°C. It has a measured water solubility value of <0.1 mg/l at 20±0.5°C and a measured log Kowof >7.2 at 35°C and pH 7.3.
Based on its structure and safe handling in use it is not considered to be flammable, have explosive or oxidising properties or be flammable in contact with air or moisture. It has a measured flash point of 134± 2°C (closed cup) with an auto-ignition temperature of 214 ± 5°C at 98.2 – 100.1 kPa.
Based on these physicochemical properties, the substance is not classified with regards to Regulation (EC) No 1272/2008 (CLP Regulation).
Physicochemical properties of constituents
For the purposes of the Chemical Safety Assessment, a model composition for the substance has been assessed using the PETRORISK model (Version 7.04), which is attached in Section 13.
As supporting information, predicted property data for vapour pressure, water solubility,n-octanol/water partition coefficient (log Kow) and Henry’s Law constant (HLC) were obtained for the constituentsusing separately validated Quantitative Structure Activity Relationships (QSARs), as described below.
Partition coefficient
The individual constituents of the substance have predicted log Kow values in the range 6.58 to >9 using a validated QSAR estimation method. Further details about the prediction are in the QMRF and QPRF attached to the IUCLID dossier.
Water solubility
The individual constituents of the substance have predicted water solubility values of <0.0001 to 0.0011 mg/l at 20°C. Therefore, the constituents are considered insoluble in water on the basis of available predicted results. Further details about the prediction are in the QMRF and QPRF attached to the IUCLID dossier.
Vapour pressure
The individual constituents of the substance have predicted vapour pressure values of 1.5E-03 Pa to 11.5 Pa at 25°C using a validated QSAR estimation method. Further details about the prediction are in the QMRF and QPRF attached to the IUCLID dossier.
Henry’s Law Constant (HLC)
Values can be calculated from the other physicochemical properties using the expression:
HLC (Pa.m3/mol) = [VP (Pa) x MW (g/mol)] ÷ [WS (mg/l)]
Where:
VP= vapour pressure;MW= molecular weight;WS= water solubility
Summary of relevant properties of constituents
The data are summarised in the table below
Table: Predicted physicochemical properties for constituents of Hydrocarbons, C15 -C19, n-alkanes, isoalkanes <2% aromatics
Carbon Number |
CH3 |
CH2 |
branched |
Vapour pressure (Pa) at 25°C |
log Kow |
Water solubility at 20°C (mg/l) |
13 |
2 |
11 |
0 |
9.14E+00 |
6.73 |
3.0E-03 |
13 |
3 |
9 |
1 |
1.15E+01 |
6.65 |
3.6E-03 |
13 |
3 |
8 |
2 |
1.07E+01 |
6.58 |
4.3E-03 |
14 |
2 |
12 |
0 |
2.99E+00 |
7.22 |
<1E-04 |
14 |
3 |
10 |
1 |
3.76E+00 |
7.14 |
1.1E-03 |
14 |
3 |
9 |
2 |
3.52E+00 |
7.07 |
1.3E-03 |
15 |
2 |
13 |
0 |
9.79E-01 |
7.71 |
<1E-04 |
15 |
3 |
11 |
1 |
1.23E+00 |
7.63 |
<1E-04 |
15 |
3 |
10 |
2 |
1.15E+00 |
7.56 |
<1E-04 |
16 |
2 |
14 |
0 |
3.21E-01 |
8.20 |
<1E-04 |
16 |
3 |
12 |
1 |
4.03E-01 |
8.13 |
<1E-04 |
16 |
3 |
11 |
2 |
3.77E-01 |
8.05 |
<1E-04 |
17 |
2 |
15 |
0 |
1.05E-01 |
8.69 |
<1E-04 |
17 |
3 |
13 |
1 |
1.32E-01 |
8.62 |
<1E-04 |
17 |
3 |
12 |
2 |
1.23E-01 |
8.54 |
<1E-04 |
18 |
2 |
16 |
0 |
3.44E-02 |
>9 |
<1E-04 |
18 |
3 |
14 |
1 |
4.32E-02 |
>9 |
<1E-04 |
18 |
3 |
13 |
2 |
4.04E-02 |
>9 |
<1E-04 |
19 |
2 |
17 |
0 |
1.12E-02 |
>9 |
<1E-04 |
19 |
3 |
15 |
1 |
1.41E-02 |
>9 |
<1E-04 |
19 |
3 |
14 |
2 |
1.32E-02 |
>9 |
<1E-04 |
20 |
2 |
18 |
0 |
3.68E-03 |
>9 |
<1E-04 |
20 |
3 |
16 |
1 |
4.62E-03 |
>9 |
<1E-04 |
20 |
3 |
15 |
2 |
4.33E-03 |
>9 |
<1E-04 |
| 21 | 3 | 17 | 1 | 1.51E-03 | >9 | <1E-04 |
Additional information
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