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EC number: 700-571-2 | CAS number: -
Endpoint summary
Administrative data
Description of key information
Additional information
The substance is a complex mixture of hydrocarbons with carbon numbers in the range C16 to C18. It is a liquid, with a pour point of less than <-20°C and a boiling range of 289 -307°C at 101.8 kPa based on read-across from another substance within relevant carbon number range. The measured density of the substance is 784.6 kg/m3 at 15°C and measured kinematic viscosity value of 3.375 mm²/s at 40ºC .
The substance has measured vapour pressure values of 1.5 Pa at 20°C and 2.4 Pa at 25ºC. Based on read-across of measured values for the related substances Hydrocarbons, C15-C19, n-alkanes, isoalkanes, <2% aromatics and Hydrocarbons, C18-C24, isoalkanes, <2% aromatics, the water solubility of the whole substance is expected to be <0.1 mg/l at 20 ± 0.5°C and the log Kow>7.2 at 35°C and pH 7.3.
Based on the chemical structures of the constituents and experience in 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 68.5°C (closed cup) with an auto-ignition temperature of 215°C at 1026 hPa.
Based on these physicochemical properties, the substance is not classified with regards to Regulation (EC) No 1272/2008 (CLP Regulation). Although the measured flash point is in the range 55-75°C, the substance is not considered to meet the special criteria for gasoils because the product specification requires the flash point to be >60°C
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 constituents of the substance have a predicted log Kow value of 7.56 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 a predicted water solubility value of <1E-04 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 a predicted vapour pressure value of 1.1E-02 Pa to 1.2 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 Alkanes, C16-C18 branched and linear
Carbon Number |
CH3 |
CH2 |
branched |
Vapour pressure (Pa) at 25°C |
log Kow |
Water solubility at 20°C (mg/l) |
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 |
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