Registration Dossier
Registration Dossier
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EC number: 940-734-7 | CAS number: -
Endpoint summary
Administrative data
Description of key information
Additional information
Discussion of physicochemical properties of whole substance
The substance is a complex mixture of hydrocarbons with carbon numbers in the range C18-C24. It is a liquid, with a pour point of less than -20°C and a boiling range of 338-366°CC at 101.8 kPa. The measured relative density of the substance is 0.797 at 20±0.5°C and measured kinematic viscosity values of 9.2 mm²/s at 25ºC and 5.9 mm²/s at 40ºC .
The substance has measured vapour pressure values of 0.00012 Pa at 20°C, 0.00031 Pa at 25ºC and 0.02 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 Kow of above 7.2 at 35°C and pH 7.3. It is not considered to be surface active.
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 170± 2°C (closed cup) with an auto-ignition temperature of 226 ± 5°C at 100.1 – 100.7 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
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 constituents as described below.
Partition coefficient
Measured values of octanol-water partition coefficients (log Kow) were retrieved from the literature. To fill data gaps, estimates were obtained from the Syracuse Research Corporation (SRC) KOWWIN program. The program is part of the EPIWIN property prediction software package.
The individual constituents of the substance have predicted log Kow values of 8.13 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
Predicted water solubility value for the individual constituent was obtained using WSKOWWIN program.
The individual constituent of the substance has a predicted water solubility value of <0.0001 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 vapour pressure of the individual constituents of the substance was predicted using MPBPVP v1.43 program.
The individual constituent of the substance has a predicted vapour pressure value of 4.5E-06 Pa to 0.4 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: Key physicochemical properties for constituents of Hydrocarbons, C18-C24, isoalkanes, <2% aromatics
Carbon Number |
CH3 |
CH2 |
branched |
Vapour pressure (Pa) at 25°C |
log Kow |
Water solubility at 20°C (mg/l) |
16 |
2 |
14 |
0 |
3.21E-01 |
8.20 |
<0.0001 |
17 |
2 |
15 |
0 |
1.05E-01 |
8.69 |
<0.0001 |
18 |
2 |
16 |
0 |
3.44E-02 |
>9 |
<0.0001 |
19 |
2 |
17 |
0 |
1.12E-02 |
>9 |
<0.0001 |
20 |
2 |
18 |
0 |
3.68E-03 |
>9 |
<0.0001 |
21 |
2 |
19 |
0 |
1.21E-03 |
>9 |
<0.0001 |
22 |
2 |
20 |
0 |
3.94E-04 |
>9 |
<0.0001 |
23 |
2 |
21 |
0 |
1.29E-04 |
>9 |
<0.0001 |
24 |
2 |
22 |
0 |
4.23E-05 |
>9 |
<0.0001 |
25 |
2 |
23 |
0 |
1.38E-05 |
>9 |
<0.0001 |
26 |
2 |
24 |
0 |
4.53E-06 |
>9 |
<0.0001 |
16 |
3 |
12 |
1 |
4.03E-01 |
8.13 |
<0.0001 |
17 |
3 |
13 |
1 |
1.32E-01 |
8.62 |
<0.0001 |
18 |
3 |
14 |
1 |
4.32E-02 |
>9 |
<0.0001 |
19 |
3 |
15 |
1 |
1.41E-02 |
>9 |
<0.0001 |
20 |
3 |
16 |
1 |
4.62E-03 |
>9 |
<0.0001 |
21 |
3 |
17 |
1 |
1.51E-03 |
>9 |
<0.0001 |
22 |
3 |
18 |
1 |
4.95E-04 |
>9 |
<0.0001 |
23 |
3 |
19 |
1 |
1.62E-04 |
>9 |
<0.0001 |
24 |
3 |
20 |
1 |
5.31E-05 |
>9 |
<0.0001 |
25 |
3 |
21 |
1 |
1.74E-05 |
>9 |
<0.0001 |
26 |
3 |
22 |
1 |
5.69E-06 |
>9 |
<0.0001 |
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