Registration Dossier

Physical & Chemical properties

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