Registration Dossier
Registration Dossier
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EC number: 941-718-2 | 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 C9 to C11. It is a liquid, with a pour point of <-20°C and a boiling range of 153 -198°C at 101.8 kPa. The relative density of the substance is between 0.727 - 0.741 at 20.2 ± 0.5°C with a kinematic viscosity of between 1.2 - 1.33 mm²/s at 20-25ºC, based on read-across.
The substance has measured vapour pressure values of 140 Pa at 20°C, 205 Pa at 25ºC and 1020 Pa at 50°C. It has a water solubility value of <0.1 mg/l at 20 ± 0.5°C and a log Kowof ≥4.31 to ≤6.24 at 35°C and pH 7.3. It is not considered to be surface active.
The substance is classified as a flammable liquid (Category 3) according to Regulation (EC) No. 1272/2008 on the basis of a flash point of 25-47°C and a boiling range of 153 - 198°C at 101.8 kPa, based on read-across and supported by measured data for the substance itself. It has an auto-ignition temperature of 212 -216°C, based on read-across. Based on its structure and safe handling in use it is not considered to exhibit explosive or oxidising properties or be flammable in contact with air or moisture.
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
The individual constituent of the substance have a predicted log Kowvalue of 4.12 to 6.23 at 20°C 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 constituent of the substance have a predicted water solubility value of 9.7E-03 to 1.5 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 constituent of the substance have a predicted vapour pressure value of 28 Pa to 3100 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 key physicochemical data for constituents of Hydrocarbons, C9-C11, n-alkanes, isoalkanes, <2% aromatics are summarised in the table below.
Table: Key physicochemical properties for constituents of Hydrocarbons, C9-C11, 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) |
8 |
2 |
8 |
0 |
2.43E+03 |
4.27 |
1.0E+00 |
9 |
2 |
9 |
0 |
7.96E+02 |
4.76 |
3.3E-01 |
10 |
2 |
10 |
0 |
2.61E+02 |
5.25 |
1.0E-01 |
11 |
2 |
11 |
0 |
8.53E+01 |
5.74 |
3.2E-02 |
12 |
2 |
12 |
0 |
2.79E+01 |
6.23 |
9.7E-03 |
8 |
3 |
6 |
1 |
3.05E+03 |
4.20 |
1.2E+00 |
9 |
3 |
7 |
1 |
1.00E+03 |
4.69 |
4.0E-01 |
10 |
3 |
8 |
1 |
3.27E+02 |
5.18 |
1.2E-01 |
11 |
3 |
9 |
1 |
1.07E+02 |
5.67 |
3.8E-02 |
12 |
3 |
10 |
1 |
3.51E+01 |
6.16 |
1.2E-02 |
8 |
4 |
4 |
2 |
2.86E+03 |
4.12 |
1.5E+00 |
9 |
4 |
5 |
2 |
9.35E+02 |
4.61 |
4.8E-01 |
10 |
4 |
6 |
2 |
3.06E+02 |
5.11 |
1.5E-01 |
11 |
4 |
7 |
2 |
1.00E+02 |
5.60 |
4.6E-02 |
12 |
4 |
8 |
2 |
3.28E+01 |
6.09 |
1.4E-02 |
Additional information
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.
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