Registration Dossier
Registration Dossier
Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.
The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.
Use of this information is subject to copyright laws and may require the permission of the owner of the information, as described in the ECHA Legal Notice.
EC number: 940-728-4 | 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 C14 to C16. It is a liquid, with a pour point of less than 0°C and a boiling range of 258-273°C at 101.8 kPa. The measured relative density of the substance is 0.773 at 20±0.5°C and measured kinematic viscosity values are 3.2 mm²/s at 25ºC and 2.3 mm²/s at 40ºC .
The substance has measured vapour pressure values of 0.23 Pa at 20°C, 0.44 Pa at 25ºC and 7.1 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 6.85 to >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 111± 2°C (closed cup) with an auto-ignition temperature of 204 ± 5°C at 99.8 – 100.8 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 of the IUCLID dossier.
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 constituent of the substance has a predicted log Kow value of 6.58 to 8.62 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 has a predicted water solubility value of <0.0001 to 4.3E-03 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 has a predicted vapour pressure value of 1.1E-01 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, C14-C16, 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 |
9.0E-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 |
2.7E-04 |
15 |
3 |
11 |
1 |
1.23E+00 |
7.63 |
3.3E-04 |
15 |
3 |
10 |
2 |
1.15E+00 |
7.56 |
4.0E-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 |
1.2E-04 |
17 |
2 |
15 |
0 |
1.05E-01 |
8.54 |
<1E-045 |
17 |
3 |
13 |
1 |
1.32E-01 |
8.62 |
<1E-04 |
17 |
3 |
12 |
2 |
1.23E-01 |
8.54 |
<1E-04 |
| 18 | 3 | 14 | 1 | 4.32E-02 | >9 | <1E-04 |
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.
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.
