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EC number: 220-836-1 | CAS number: 2915-57-3
- Life Cycle description
- Uses advised against
- Endpoint summary
- Appearance / physical state / colour
- Melting point / freezing point
- Boiling point
- Density
- Particle size distribution (Granulometry)
- Vapour pressure
- Partition coefficient
- Water solubility
- Solubility in organic solvents / fat solubility
- Surface tension
- Flash point
- Auto flammability
- Flammability
- Explosiveness
- Oxidising properties
- Oxidation reduction potential
- Stability in organic solvents and identity of relevant degradation products
- Storage stability and reactivity towards container material
- Stability: thermal, sunlight, metals
- pH
- Dissociation constant
- Viscosity
- Additional physico-chemical information
- Additional physico-chemical properties of nanomaterials
- Nanomaterial agglomeration / aggregation
- Nanomaterial crystalline phase
- Nanomaterial crystallite and grain size
- Nanomaterial aspect ratio / shape
- Nanomaterial specific surface area
- Nanomaterial Zeta potential
- Nanomaterial surface chemistry
- Nanomaterial dustiness
- Nanomaterial porosity
- Nanomaterial pour density
- Nanomaterial photocatalytic activity
- Nanomaterial radical formation potential
- Nanomaterial catalytic activity
- Endpoint summary
- Stability
- Biodegradation
- Bioaccumulation
- Transport and distribution
- Environmental data
- Additional information on environmental fate and behaviour
- Ecotoxicological Summary
- Aquatic toxicity
- Endpoint summary
- Short-term toxicity to fish
- Long-term toxicity to fish
- Short-term toxicity to aquatic invertebrates
- Long-term toxicity to aquatic invertebrates
- Toxicity to aquatic algae and cyanobacteria
- Toxicity to aquatic plants other than algae
- Toxicity to microorganisms
- Endocrine disrupter testing in aquatic vertebrates – in vivo
- Toxicity to other aquatic organisms
- Sediment toxicity
- Terrestrial toxicity
- Biological effects monitoring
- Biotransformation and kinetics
- Additional ecotoxological information
- Toxicological Summary
- Toxicokinetics, metabolism and distribution
- Acute Toxicity
- Irritation / corrosion
- Sensitisation
- Repeated dose toxicity
- Genetic toxicity
- Carcinogenicity
- Toxicity to reproduction
- Specific investigations
- Exposure related observations in humans
- Toxic effects on livestock and pets
- Additional toxicological data
Vapour pressure
Administrative data
Link to relevant study record(s)
- Endpoint:
- vapour pressure
- Type of information:
- calculation (if not (Q)SAR)
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
- Justification for type of information:
- 1. SOFTWARE
EPI Suite 2012
2. MODEL (incl. version number)
MPBPWIN v1.43 (September 2010)
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
SMILES: O=C(OCC(CCCC)CC)CCC(=O)OCC(CCCC)CC
CHEM: Butanedioic acid, bis(2-ethylhexyl) ester
MOL FOR: C20 H38 O4
MOL WT: 342.52
BP: 331.22 °C
4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
See attached supporting information.
5. APPLICABILITY DOMAIN
See attached supporting information.
6. ADEQUACY OF THE RESULT
Calculation was necessary as the vapour pressure of the substance was below the limit of quantification in the experimental study (<10 Pa). The calculated result (0.0488 Pa) is broadly inline with the experimental result. As the substance is a well defined mono-constituent type substance and falls within the applicability domain of the model, the use of the calculated vapour pressure is considered to be acceptable for exposure assessment. - Guideline:
- other: Guidance on information requirements and chemical safety assessment, Chapter R.6: QSARs and grouping of chemicals (May 2008, ECHA)
- Principles of method if other than guideline:
- Calculation by Modified Grain method using EPI Suite v4.00: MPBPVP v1.43 software.
- Temp.:
- 25 °C
- Vapour pressure:
- 0.049 Pa
- Remarks on result:
- other: Calculated value by Modified Grain method.
- Conclusions:
- The vapour pressure of the substance has been calculated as 0.0127 Pa at 25°C using the Modified Grain method using the EPI Suite v4.00: MPBPVP v1.43 software.
- Executive summary:
The vapour pressure of the substance has been calculated as 0.0127 Pa at 25°C using the Modified Grain method using the EPI Suite v4.00: MPBPVP v1.43 software.
- Endpoint:
- vapour pressure
- Type of information:
- experimental study
- Adequacy of study:
- supporting study
- Study period:
- 13 December 2012 to 19 December 2012
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 104 (Vapour Pressure Curve)
- Deviations:
- no
- GLP compliance:
- yes
- Type of method:
- static method
- Vapour pressure:
- < 10 Pa
- Remarks on result:
- other: Less than the Limit of Quantitation (LOQ) of the test system.
- Conclusions:
- Under the conditions of the study, the vapour pressure of the test material was determined to be less than the limit of quantitation (LOQ), 10 Pa, for the test system based upon a final series of observations showing no deflection of the mercury manometer fluid.
- Executive summary:
The vapour pressure of the test material was determined in a GLP experiment which was conducted in accordance with the standardised guideline OECD 104 using the static method. Based on observations during vapour pressure testing, it was concluded that the test material holds a considerable amount of gas which must be removed by extensive exposure to vacuum. The vapour pressure for the test material was determined to be less than the limit of quantitation (LOQ), 10 Pa, for the test system based upon a final series of observations showing no deflection of the mercury manometer fluid.
Referenceopen allclose all
Table 1: Determination of Vapour Pressure (13 December 2012 – Analytical Trial 1) Mean Values and (SD)
Temperature |
Temperature (1/K) |
Vapour pressure (Pa) |
Ln (Pa) |
|
°C |
K |
|||
35.4 |
308.55 |
0.00324 |
8.84 x 10² (35.5) |
6.78 (0.0402) |
40.4 |
313.55 |
0.00319 |
1.15 x 10³ (15.3) |
7.05 (0.0132) |
43.3 |
316.45 |
0.00316 |
1.67 x 10³ (40.4) |
7.42 (0.0240) |
46.2 |
319.35 |
0.00313 |
1.96 x 10³ (26.5) |
7.58 (0.0135) |
50.1 |
323.25 |
0.00309 |
2.14 x 10³ (10.0) |
7.67 (0.00467) |
40.4 |
313.55 |
0.00319 |
3.19 x 10² (5.13) |
5.77 (0.0160) |
Table 2: Determination of Vapour Pressure (17 December 2012 – Analytical Trial 2) Mean Values and (SD)
Temperature |
Temperature (1/K) |
Vapour pressure (Pa) |
Ln (Pa) |
|
°C |
K |
|||
35.2 |
308.35 |
0.00324 |
1.21 x 10³ (45.1) |
7.10 (0.0375) |
40.1 |
313.25 |
0.00319 |
1.91 x 10³ (60.8) |
7.55 (0.0321) |
43.1 |
316.25 |
0.00316 |
2.43 x 10³ (127) |
7.79 (0.0532) |
46.0 |
319.15 |
0.00313 |
2.71 x 10³ (78.1) |
7.90 (0.0291) |
49.9 |
323.05 |
0.00310 |
3.13 x 10³ (36.1) |
8.05 (0.0115) |
Table 3: Determination of Vapour Pressure (17 December 2012 – Analytical Trial 3) Mean Values and (SD)
Temperature |
Temperature (1/K) |
Vapour pressure (Pa) |
Ln (Pa) |
|
°C |
K |
|||
35.2 |
308.35 |
0.00324 |
8.91 x 10² (29.7) |
6.79 (0.0337) |
40.1 |
313.25 |
0.00319 |
1.23 x 10³ (15.3) |
7.11 (0.0125) |
43.1 |
316.25 |
0.00316 |
1.50 x 10³ (26.5) |
7.31 (0.0177) |
46.0 |
319.15 |
0.00313 |
1.72 x 10³ (15.3) |
7.45 (0.00891) |
49.9 |
323.05 |
0.00310 |
2.08 x 10³ (40.4) |
7.64 (0.0196) |
54.8 |
327.95 |
0.00305 |
2.34 x 10³ (11.5) |
7.76 (0.00493) |
Table 4: Determination of Vapour Pressure (18 December 2012 – Analytical Trial 4) Mean Values and (SD)
Temperature |
Temperature (1/K) |
Vapour pressure (Pa) |
Ln (Pa) |
|
°C |
K |
|||
35.2 |
308.35 |
0.00324 |
4.04 x 10² (16.1) |
6.00 (0.0400) |
40.2 |
313.35 |
0.00319 |
5.80 x 10² (29.3) |
6.36 (0.0512) |
43.1 |
316.25 |
0.00316 |
8.36 x 10² (32.7) |
6.73 (0.0395) |
46.0 |
319.15 |
0.00313 |
9.94 x 10² (18.4) |
6.90 (0.0186) |
49.9 |
323.05 |
0.00310 |
1.17 x 10³ (11.5) |
7.07 (0.00987) |
Table 5: Determination of Vapour Pressure (18 December 2012 – Analytical Trial 5) Mean Values and (SD)
Temperature |
Temperature (1/K) |
Vapour pressure (Pa) |
Ln (Pa) |
|
°C |
K |
|||
35.2 |
308.35 |
0.00324 |
1.15 x 10² (7.81) |
4.74 (0.0667) |
40.1 |
313.25 |
0.00319 |
1.96 x 10² (24.2) |
5.27 (0.121) |
45.0 |
318.15 |
0.00314 |
4.65 x 10² (25.4) |
6.14 (0.0552) |
49.9 |
323.05 |
0.00310 |
6.60 x 10² (13.4) |
6.49 (0.0204) |
54.7 |
327.85 |
0.00305 |
3.96 x 10³ (5130) |
7.67 (1.32) |
Table 6: Determination of Vapour Pressure (19 December 2012 – Analytical Trial 6)
Temperature |
Temperature (1/K) |
Vapour pressure (Pa) |
Ln (Pa) |
|
°C |
K |
|||
35.2 |
308.35 |
0.00324 |
No deflection |
Not applicable |
40.1 |
313.25 |
0.00319 |
No deflection |
Not applicable |
49.7 |
322.85 |
0.00310 |
No deflection |
Not applicable |
59.4 |
332.55 |
0.00301 |
No deflection |
Not applicable |
69.3 |
342.45 |
0.00292 |
No deflection |
Not applicable |
35.2 |
308.35 |
0.00324 |
No deflection |
Not applicable |
Table 7: Vapour Pressure Estimates at 20 and 25 °C
Analytical trial |
Date of analysis |
Vapour pressure estimate (Pa) |
|
20 °C |
25 °C |
||
1 |
13 December 2012 |
1.36 x 10² |
2.24 x 10² |
2 |
17 December 2012 |
4.40 x 10² |
6.37 x 10² |
3 |
4.04 x 10² |
5.40 x 10² |
|
4 |
18 December 2012 |
1.16 x 10² |
1.78 x 10² |
5 |
8.76 |
20.2 |
Description of key information
Experimental study conducted according to recognised testing guideline with GLP certification and validated QSAR applicable to the registered substance.
Key value for chemical safety assessment
- Vapour pressure:
- 0.049 Pa
- at the temperature of:
- 25 °C
Additional information
Attempts were made to measure the vapour pressure of the test material in a GLP experiment which was conducted in accordance with the standardised guideline OECD 104 using the static method. Based on observations during vapour pressure testing, it was concluded that the test material holds a considerable amount of gas which must be removed by extensive exposure to vacuum. The vapour pressure for the test material was determined to be less than the limit of quantitation (LOQ), 10 Pa, for the test system based upon a final series of observations showing no deflection of the mercury manometer fluid. This limit value is not considered to provide an accurate indication of the true vapour pressure of the substance and hence this measured limit value is reported as supporting data.
The vapour pressure has therefore also been determined by EPIWIN software using the Modified Grain method. Under this method the vapour pressure is calculated to be 0.0488 Pa at 25°C. This is considered to be a more accurate indication of the vapour pressure of the substance and hence is chosen as the key study.
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