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EC number: 451-190-0 | CAS number: 156558-98-4
- 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:
- (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:
- Valid QSAR model
- Principles of method if other than guideline:
- Calculation with use of SPARC online calculator v 4.6, self interaction physical process models for estimation of saturated vapour pressure.
- GLP compliance:
- no
- Type of method:
- other: QSAR
- Key result
- Temp.:
- 20 °C
- Vapour pressure:
- 0 Pa
- Remarks on result:
- other: 8.41E-18 Pa
- Endpoint:
- vapour pressure
- Type of information:
- (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:
- Valid QSAR model
- Principles of method if other than guideline:
- Calculation with use of SPARC online calculator v 4.6, self interaction physical process models for estimation of saturated vapour pressure.
- GLP compliance:
- no
- Type of method:
- other: QSAR
- Key result
- Temp.:
- 20 °C
- Vapour pressure:
- 0 Pa
- Endpoint:
- vapour pressure
- Type of information:
- (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:
- Valid QSAR model
- Principles of method if other than guideline:
- Calculation with use of SPARC online calculator v 4.6, self interaction physical process models for estimation of saturated vapour pressure.
- GLP compliance:
- no
- Type of method:
- other: QSAR
- Key result
- Temp.:
- 20 °C
- Vapour pressure:
- 0 Pa
- Endpoint:
- vapour pressure
- Type of information:
- calculation (if not (Q)SAR)
- Remarks:
- estimated by calculation
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Guideline study with acceptable restrictions.
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.4 (Vapour Pressure)
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 104 (Vapour Pressure Curve)
- Principles of method if other than guideline:
- Calculation using the Modified Watson Correlation and measured boiling temperatures.
- GLP compliance:
- not specified
- Type of method:
- other: Calculation
- Key result
- Temp.:
- 20 °C
- Vapour pressure:
- 0.006 Pa
- Remarks on result:
- other: Vapour pressure calculated using the Modified Watson Correlation (m= 0.19 for a liquid) and the measured boiling temperature (399 °C).
- Endpoint:
- vapour pressure
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 24-Oct-2004 to 27-Oct-2004
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Relevant methodological deficiencies
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.4 (Vapour Pressure)
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 104 (Vapour Pressure Curve)
- GLP compliance:
- yes
- Type of method:
- static method
- Key result
- Temp.:
- 20 °C
- Vapour pressure:
- > 3.7 - < 4.5 Pa
- Endpoint:
- vapour pressure
- Type of information:
- read-across from supporting substance (structural analogue or surrogate)
- Remarks:
- 8 substances available for read across
- Adequacy of study:
- weight of evidence
- Justification for type of information:
- see the attached justification in section 13 for the full details.
- Reason / purpose for cross-reference:
- read-across source
- Reason / purpose for cross-reference:
- read-across source
- Reason / purpose for cross-reference:
- read-across source
- Reason / purpose for cross-reference:
- read-across source
- Reason / purpose for cross-reference:
- read-across source
- Reason / purpose for cross-reference:
- read-across source
- Reason / purpose for cross-reference:
- read-across source
- Reason / purpose for cross-reference:
- read-across source
- Key result
- Temp.:
- 20 °C
- Vapour pressure:
- 0.006 Pa
- Remarks on result:
- other: Hatcol 3331
- Key result
- Temp.:
- 20 °C
- Vapour pressure:
- 0 mm Hg
- Remarks on result:
- other: Hatcol 3331
- Key result
- Temp.:
- 20 °C
- Vapour pressure:
- 0.004 Pa
- Remarks on result:
- other: Hatcol 3344
- Key result
- Temp.:
- 20 °C
- Vapour pressure:
- 0 mm Hg
- Remarks on result:
- other: Hatcol 3344
- Key result
- Temp.:
- 20 °C
- Vapour pressure:
- 0.007 Pa
- Remarks on result:
- other: Hatcol 5236
- Key result
- Temp.:
- 20 °C
- Vapour pressure:
- 0 mm Hg
- Remarks on result:
- other: Hatcol 5236
- Key result
- Temp.:
- 20 °C
- Vapour pressure:
- 0 Pa
- Remarks on result:
- other: C5FA tetraester
- Key result
- Temp.:
- 20 °C
- Vapour pressure:
- 0 Pa
- Remarks on result:
- other: C10FA tetraester
- Key result
- Temp.:
- 20 °C
- Vapour pressure:
- 0 Pa
- Remarks on result:
- other: C9iso FA tetraester component
- Key result
- Temp.:
- 20 °C
- Vapour pressure:
- > 3.7 - < 4.5 Pa
- Remarks on result:
- other: Pentaerythritol tetraesters of n-C5, n-C7, n-C8, i-C9 and n-C10 fatty acids
- Key result
- Temp.:
- 20 °C
- Vapour pressure:
- 0.006 Pa
- Remarks on result:
- other: Pentaerythritol tetraesters of n-C5, n-C7, n-C8, i-C9 and n-C10 fatty acids
- Conclusions:
- The read across for substance, CAS: 156558-98-4; EC: 451-190-0; is based upon the analogous substances to which basic form, degree of substitution of functional groups is not considered to effect the proposed read across for the endpoint of vapour pressure. The vapour pressure for the substance based on the mean of the information available is deemed to be 0.003 Pa.
- Endpoint:
- vapour pressure
- Type of information:
- read-across from supporting substance (structural analogue or surrogate)
- Adequacy of study:
- supporting study
- Study period:
- 2 October 2002 to 24 October 2002
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: Study performed in accordance with OECD & EU test guidelines in compliance with GLP.
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 104 (Vapour Pressure Curve)
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.4 (Vapour Pressure)
- GLP compliance:
- yes
- Type of method:
- static method
- Key result
- Temp.:
- 20 °C
- Vapour pressure:
- 0.006 Pa
- Key result
- Temp.:
- 20 °C
- Vapour pressure:
- 0 mm Hg
- Conclusions:
- The vapour pressure of Hatcol 3331 at 20°C was determined to be:
p (20°C) = (5.7 ± 0.7)E-03 Pa = (4.3 ± 0.5)E-05 mm Hg. - Executive summary:
The determination of the vapour pressure of Hatcol 3331 was based on the following guidelines: European Economic Community (EEC), EEC directive 92/69 EEC, Part A, Methods for the determination of physico-chemical properties, A.4 "Vapour pressure", EEC Publication No. L383, December 1992. Organisation for Economic Co-operation and Development (OECD), OECD guidelines for testing chemicals, Guideline No,104: "Vapour pressure curve", July 27, 1995.
Using the Static Technique, the vapour pressure of Hatcol 3331 at 20°C was determined to be:
p (20°C) = (5.7 ± 0.7) x 10-3 Pa = (4.3 ± 0.5) x 10-5 mm Hg
Discussion: According to the guideline, the recommended range for the Static method is: 10 up to 105 Pa. When using a capacitance manometer, the Static method can even be used below 10-1 Pa (according to guideline's paragraph 'Apparatus’). This study was performed using a capacitance manometer with a measurement range of 6 x 10 -3 Pa – 2 x 105 Pa. The vapour pressuresmeasured for Hatcol 3331 were all > 1 x 10-2 Pa.
All sensors, thermometers and pressure sensor heads were calibrated over the decades used inthe experiments. Pressure sensorheads were calibrated from high vacuum (<< 10-5 Pa) to be seen as "0"-value up to 1 Pa, The thermometers were calibrated in the measurement range used for testing.
- Endpoint:
- vapour pressure
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 14 October 2002 to 18 October 2002
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: Study performed in accordance with OECD & EU test guidelines in compliance with GLP.
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 104 (Vapour Pressure Curve)
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.4 (Vapour Pressure)
- GLP compliance:
- yes
- Type of method:
- static method
- Key result
- Temp.:
- 20 °C
- Vapour pressure:
- 0.004 Pa
- Key result
- Temp.:
- 20 °C
- Vapour pressure:
- 0 mm Hg
- Conclusions:
- The vapour pressure of Hatcol 3344 at 20°C was determined to be:
p (20°C) = (4.5 ± 0.8)E-03 Pa = (3.4 ± 0.6)E-05 mm Hg - Executive summary:
The determination of the vapour pressure of Hatcol 3344 was based on the following guidelines: European Economic Community (EEC), EEC directive 92/69 EEC, Part A, Methods for the determination of physico-chemical properties, A.4 “Vapour pressure” EEC Publication No.L383, December 1992.Organisation for Economic Co-operation and Development (OECD), OECD guidelines for testing chemicals, Guideline No. 104: 'Vapour pressure curve", July 27,1995.
Result: Using the Static Technique, the vapour pressure of Hatcol 3344 at 20°C was determined to be:p (20°C) = (4.5 ± 0.8) x 10-3 Pa = (3.4 ± 0.6) x 10-5 mm Hg
Discussion:According to the guideline, the recommended range forthe Static method is: 10 up to 105 Pa.When using a capacitance manometer, the Static method can even be used below 10-1 Pa. This study was performed using a capacitance manometer with a measurement range of 6x10-3 Pa - 2x105 Pa. The vapour pressures measured for Hatcol 3344 were all > 0.01 Pa.
All sensors, thermometers and pressure sensor heads were calibrated over the decades used in the experiments. Pressure sensor heads were calibrated from high vacuum (<< 10-5 Pa) to be seen as "0"-value up to 1 Pa. The thermometers were calibrated in the measurement range used for testing.
- Endpoint:
- vapour pressure
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 28 October 2002 to 01 November 2002
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: Study performed in accordance with OECD & EU test guidelines in compliance with GLP.
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 104 (Vapour Pressure Curve)
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.4 (Vapour Pressure)
- GLP compliance:
- yes
- Type of method:
- static method
- Key result
- Temp.:
- 20 °C
- Vapour pressure:
- 0.007 Pa
- Key result
- Temp.:
- 20 °C
- Vapour pressure:
- 0 mm Hg
- Conclusions:
- The vapour pressure of Hatcol 5236 at 20.0°C was determined to be:
p (20°C) = (7.5 ± 1.4)E-03 Pa = (5.6 ± 1.1)E-05 mm Hg - Executive summary:
The determination of the vapour pressure of Hatcol 5236 was based on the following guidelines:
European Economic Community (EEC), EEC directive 92/69 EEC, Part A, Methods for the determination of physico-chemical properties, A.4 'Vapour pressure", EEC Publication No. L383, December 1992. Organisation for Economic Co-operation and Development (OECD), OECD guidelines for testing chemicals, Guideline No.104: 'Vapour pressure curve", July 27,1995.
Result: Using the Static Technique, the vapour pressure of Hatcol 5236 at 20°C was determined to be: p (20°C) = (7.5 ± 1.4) x 10-3 Pa = (5.6 ± 1.1) x 10 -5 mm Hg
Discussion: According to the OECD guideline, the recommended range for the Static method is: 10 up to 105 Pa. When using a capacitance manometer, the Static method can even be used below 10-1 Pa (according to guideline's paragraph 'Apparatus'). This study was performed using a capacitance manometer with a measurement range of 6 x 10-3 Pa –2 x 105 Pa. The vapour pressures measured for Hatcol 5236 at the three test temperatures were all between 1.5 x 10 -2 Pa and 6.8 x 10 -2 Pa.
All sensors, thermometers and pressure sensor heads were calibrated over the decades used in the experiments. Pressure sensor heads were calibrated from high vacuum (<< 10 -5 Pa) to be seen as "0"-value up to 1 Pa. The thermometers were calibrated in the measurement range used for testing.
Referenceopen allclose all
QSAR result; transition/decomposition is not specified/reported. For detailed description of the model and its applicability, see "Any other information on materials and methods incl. tables".
QSAR result; transition/decomposition is not specified/reported. For detailed description of the model and its applicability, see "Any other information on materials and methods incl. tables".
QSAR result; transition/decomposition is not specified/reported. For detailed description of the model and its applicability, see "Any other information on materials and methods incl. tables".
Results
The vapour pressures were calculated as the measured vapour pressures were unexpectedly high for these substances. The amount of water present in the test substances according to their certificates of analysis (0.02%) increased the measured vapour pressures enormously.
Boiling temperature
Test substance 127197: Boiling point = 399°C (672K)
Table 1a: Contributions to molar refraction (Rd) and parachor (Pa) in pentaerythritol, tetrakis(pentanoate).
Molecular Feature |
Frequency |
Molar Refraction, [Rd] |
Parachor, [Pa] |
C H O2 (ester) |
25 44 4 |
25 * 2.418 44 * 1.100 4 * 3.736 |
25 * 9.2 44 * 15.4 4 * 54.8 |
Total contribution Molar Refraction : 179.21 |
|||
Total contribution Parachor : 1606.8 |
Table 1b: Contributions to molar refraction (Rd) and parachor (Pa) in pentaerythritol, tetrakis(decanoate).
Molecular Feature |
Frequency |
Molar Refraction, [Rd] |
Parachor, [Pa] |
C H O2 (ester) |
45 84 4 |
45 * 2.418 84 * 1.100 4 * 3.736 |
45 * 9.2 84 * 15.4 4 * 54.8 |
Total contribution Molar Refraction : 216.154 |
|||
Total contribution Parachor : 1926.8 |
Table 2a: Contributions to the constant B in pentaerythritol, tetrakis(pentanoate).
Compound Class |
B |
Ester (monocarboxylic) |
4 * 15000 |
Total contribution to the constant B : 60000 |
The boiling point of pentaerythritol, tetrakis(pentanoate) was calculated to be 727 K (454 °C), using 179.21, 60000 and 1606.8 for Rd, B and Pa, respectively.
The boiling point of pentaerythritol, tetrakis(pentanoate) was calculated to be 925 K (652 °C), using 216.154, 60000 and 1926.8 for Rd, B and Pa, respectively.
Vapour pressure
Using the Modified Watson Correlation (m= 0.19 for a liquid) and the measured boiling temperatures the following vapour pressure was calculated:
Test substance 127197: Vapour pressure (Pa) = 6.2E-03
For comparison the vapour pressure was also calculated from the structural formula of the smallest substance, pentaerythritol, tetrakis(pentanoate) and largest substance, pentaerythritol, tetrakis(decanoate), present.
The vapour pressure of pentaerythritol, tetrakis(pentanoate) was calculated to be 4.5 x 10-4Pa at 20°C, using 727 K for Tband 0.19 for m.
The vapour pressure of pentaerythritol, tetrakis(decanoate) was calculated to be 2.7 x 10-8 Paat 20°C, using 925 K for Tband 0.19 for m.
The vapour pressures calculated from the calculated boiling point are substantially lower than the vapour pressures calculated from the measured boiling points. Since measured boiling points are considered more reliable than calculated boiling points, the vapour pressures calculated from the measured boiling points are considered to represent the most accurate values.
Interpretation
Because the measured vapour pressures were > 0.1 pa, no correction for thermal transpiration was made.
The test substance was considered to show ideal behaviour. Thus the vapour pressure curve was derived by using a least squares method to calculate a straight line that best fits the measured data (Clapeyron).
The vapour pressure at 20°C was extrapolated from the vapour pressure curve.
Results
Vapour pressure of [trade name] at 3 different temperatures
Measurement |
Temperature |
Mean vapour pressure +/- 2 x calculated error [Pa] |
||
|
[°C] |
[K] |
p |
ln p |
1 - 13 |
37.15 |
310.30 |
24.9 +/- 0.1 |
3.22 +/- 0.00 |
14 - 25 |
32.11 |
305.26 |
15.6 +/- 0.2 |
2.75 +/- 0.01 |
26 - 34 |
25.68 |
298.83 |
7.62 +/- 0.12 |
2.03 +/- 0.02 |
Fitting these data using the least squares method gives a value of 4.13 Pa for the vapour pressure of the test substance at 20 °C. The error for the vapour pressure (p) calculated from the fit was 6.4%. The deviation between each of the three data points and the fit was > 2.5%. The error made in estimating the mean vapour pressure per temperature series was < 0.8%. Taking all these errors into account, a value of 0.4 Pa (ie. 97%) was found to be reasonable for the uncertainty in the calculated vapour pressure at 20°C.
The Static Technique was used for the determination of the vapour pressure at 20°C.
The first 8 measurements of the first series and the first 6 measurements of the third series were deviating values due to system instability and were not taking into account for the calculations. The results of the vapour pressures calculations are summarised in Table 1.
Table 1 Vapour pressure of Hatcol 3331 at 3 different temperatures
Measurment1 |
Temperature |
Mean vapour pressure±2 x calculated error [Pa] |
||
[°C] |
[K] |
p2 |
In p |
|
1 – 22 |
38.36 |
311.51 |
0.057±0.004 |
-2.86±0.07 |
23 – 35 |
32.92 |
306.07 |
0.028±0.003 |
-3.57±0.10 |
36 – 51 |
27.28 |
300.43 |
0.015±0.001 |
-4.21±0.09 |
1not all of the measurements were used for all calculations
2A correction for thermal transpiration was applied on each of the measurements
The Static Technique was used for the determination of the vapour pressure at 20°C.
At the beginning of the test the vapour pressure of the test substance decreased slightly every next measurement, due to the removal of volatile impurities. After measurement 35 this decrease became negligible and the vapour pressure became stable. So from that moment on, the collected data were used for the determination of the vapour pressure of Hatcol 3344.
Table 1 Determination of the vapour pressure of Hatcol 3344 at 3 different temperatures, using the Static Technique
Measurement2 |
Temperature |
Mean vapour pressure±2σ[Pa] |
||
[°C] |
[K] |
p1 |
In p |
|
36 – 51 |
37.47 |
310.62 |
0.048±0.004 |
-3.04±0.08 |
54 – 71 |
32.11 |
305.26 |
0.026±0.002 |
-3.65±0.08 |
72 – 94 |
26.08 |
299.23 |
0.010±0.001 |
-4.56±0.10 |
1 Corrected for thermal transpiration
2 Not all the measurements were used for calculations
APPENDIX
The measured vapour pressures are summarised in the table below and are expressed in Pa. The values were rounded off before printing.
nr |
p |
In (p) |
nr |
p |
In (p) |
nr |
p |
In (p) |
1 |
0.4917 |
-0.71* |
41 |
0.0536 |
-2.93 |
72 |
0.0106 |
-4.55 |
2 |
0.2966 |
-1.22* |
42 |
0.0487 |
-3.02 |
73 |
0.0111 |
-4.50 |
3 |
0.2179 |
-1.52* |
43 |
0.0473 |
-3.05 |
74 |
0.0107 |
-4.53 |
4 |
0.1794 |
-1.72* |
44 |
0.0486 |
-3.03 |
75 |
0.0090 |
-4.71 |
5 |
0.1527 |
-1.88* |
45 |
0.0486 |
-3.03 |
76 |
0.0102 |
-4.59 |
6 |
0.1417 |
-1.96* |
46 |
0.0459 |
-3.08 |
77 |
0.0111 |
-4.50 |
7 |
0.1265 |
-2.07* |
47 |
0.0448 |
-3.11 |
78 |
0.0112 |
-4.50 |
8 |
0.1133 |
-2.18* |
48 |
0.0470 |
-3.06 |
79 |
0.0109 |
-4.52 |
9 |
0.1091 |
-2.22* |
49 |
0.0445 |
-3.11 |
80 |
0.0113 |
-4.49 |
10 |
0.1003 |
-2.30* |
50 |
0.0456 |
-3.09 |
81 |
0.0069 |
-4.97* |
11 |
0.0959 |
-2.35* |
51 |
0.0443 |
-3.12 |
82 |
0.0111 |
-4.50 |
12 |
0.0895 |
-2.41* |
|
|
|
83 |
0.0113 |
-4.48 |
13 |
0.0871 |
-2.44* |
|
|
|
84 |
0.0099 |
-4.61 |
14 |
0.0801 |
-2.53* |
|
|
|
85 |
0.0098 |
-4.63 |
15 |
0.0765 |
-2.57* |
|
|
|
86 |
0.0099 |
-4.62 |
16 |
0.0759 |
-2.58* |
|
|
|
87 |
0.0105 |
-4.55 |
17 |
0.0712 |
-2.64* |
|
|
|
88 |
0.0100 |
-4.60 |
18 |
0.0731 |
-2.62* |
|
|
|
89 |
0.0109 |
-4.52 |
19 |
0.0675 |
-2.70* |
|
|
|
90 |
0.0107 |
-4.54 |
20 |
0.0715 |
-2.64* |
52 |
0.0362 |
-3.32* |
91 |
0.0096 |
-4.65 |
21 |
0.0672 |
-2.70* |
53 |
0.0321 |
-3.44* |
92 |
0.0102 |
-4.59 |
22 |
0.0660 |
-2.72* |
54 |
0.0275 |
-3.59 |
93 |
0.0093 |
-4.68 |
23 |
0.0588 |
-2.83* |
55 |
0.0251 |
-3.68 |
94 |
0.0102 |
-4.59 |
24 |
0.0589 |
-2.83* |
56 |
0.0289 |
-3.54 |
95 |
0.0089 |
-4.72* |
25 |
0.0592 |
-2.83* |
57 |
0.0274 |
-3.60 |
|
|
|
26 |
0.0584 |
-2.84* |
58 |
0.0250 |
-3.69 |
|
|
|
27 |
0.0628 |
-2.77* |
59 |
0.0260 |
-3.65 |
|
|
|
28 |
0.0560 |
-2.88* |
60 |
0.0257 |
-3.66 |
|
|
|
29 |
0.0661 |
-2.72* |
61 |
0.0250 |
-3.69 |
|
|
|
30 |
0.0603 |
-2.81* |
62 |
0.0252 |
-3.68 |
|
|
|
31 |
0.0535 |
-2.93* |
63 |
0.0248 |
-3.70 |
|
|
|
32 |
0.0552 |
-2.90* |
64 |
0.0269 |
-3.62 |
|
|
|
33 |
0.0534 |
-2.93* |
65 |
0.0204 |
-3.89* |
|
|
|
34 |
0.0548 |
-2.90* |
66 |
0.0238 |
-3.56 |
|
|
|
35 |
0.0528 |
-2.94* |
67 |
0.0283 |
-3.56 |
|
|
|
36 |
0.0508 |
-2.98 |
68 |
0.0244 |
-3.71 |
|
|
|
37 |
0.0506 |
-2.99 |
69 |
0.0262 |
-3.64 |
|
|
|
38 |
0.0512 |
-2.97 |
70 |
0.0249 |
-3.69 |
|
|
|
39 |
0.0505 |
-2.99 |
71 |
0.0264 |
-3.64 |
|
|
|
40 |
0.0498 |
-3.00* |
|
|
|
|
|
|
*System instability. Value not used for calculations.
The Static Technique was used for the determination of the vapour pressure of Hatcol 5236.
At the beginning of the test the vapour pressure decreased slightly every next measurement, probably due to the removal of volatile impurities.
The first 13 measurements of the second series were deviating values due to system instabilityand were not taking into account for the calculations either.
Table 1 Vapour pressure of Hatcol 5236 at 3 different temperatures
Measurement1 |
Temperature |
Mean vapour pressure±2 x calculated error [Pa] |
||
[°C] |
[K] |
p1 |
In p |
|
2 – 172 |
37.96 |
311.11 |
0.062 ± 0.0052 |
-2.78 ± 0.07 |
30 – 402 |
32.47 |
305.62 |
0.030 ± 0.0042 |
-3.50 ± 0.11 |
42 – 702 |
26.75 |
299.90 |
0.017 ± 0.0022 |
-4.05 ± 0.11 |
1Note all of the measurements were used for the calculations
2A correction for thermal transpiration was applied on each of the measurements
According to the OECO guideline, the recommended range for the Static method is: 10 up to 105 Pa. When using a capacitance manometer, the Static method can even be used below 10-1 Pa (according to guideline's paragraph 'Apparatus'). This study was performed using a capacitance manometer with a measurement range of 6 x 10-3 Pa –2 x 105 Pa. The vapour pressures measured for Hatcol 5236 at the three test temperatures were all between 1.5 x 10-2 Pa and 6.8 x 10 -2 Pa.
All sensors, thermometers and pressure sensor heads were calibrated over the decades used in the experiments. Pressure sensor heads were calibrated from high vacuum (<< 10.5 Pa) to be seen as "0”- value up to 1 Pa. The thermometers were calibrated in the measurement range used for testing.
Description of key information
The read across for substance, CAS: 156558-98-4; EC: 451-190-0; is based upon the analogous substances to which basic form, degree of substitution of functional groups is not considered to effect the proposed read across for the endpoint of vapour pressure. The vapour pressure for the substance based on the mean of the information available is deemed to be 0.003 Pa.
Key value for chemical safety assessment
- Vapour pressure:
- 0.003 Pa
- at the temperature of:
- 20 °C
Additional information
HATCOL 5236:
Using the Static Technique, the vapour pressure of Hatcol 5236 at 20°C was determined to be: p (20°C) = (7.5 ± 1.4) x 10 -3 Pa = (5.6 ± 1.1) x 10-5 mm Hg.
HATCOL 3344:
The determination of the vapour pressure of Hatcol 3344 was done using the Static Technique, the vapour pressure of Hatcol 3344 at 20°C was determined to be: p (20°C) = (4.5 ± 0.8) x 10 -3 Pa = (3.4 ± 0.6) x 10 -5 mm Hg.
HATCOL 3331:
Using the Static Technique, the vapour pressure of Hatcol 3331 at 20°C was determined to be: p (20°C) = (5.7 ± 0.7) x 10 -3 Pa = (4.3 ± 0.5) x 10-5 mm Hg.
The vapour pressure of substance Pentaerythritol tetraesters of n-C5, n-C7, n-C8, i-C9 and n-C10 fatty acids (EC 451-190-0) was determined by calculation using the Modified Watson Correlation and measured boiling temperatures (6.2E-03 Pa at 20 °C). In an earlier study an unexpectedly high vapour pressure was determined experimentally using the static method according to EU Method A.4 (4.1 +/-
0.4 Pa at 20 °C). The high experimental values were possibly caused by the amount of water present in the test substance.
In a supporting study the vapour pressure of the substance was also determined by QSAR calculation with SPARC (v4.6) for the two exemplary components covering both ends of the substance specification (n-C5 tetra and n-C10 tetra) and the component i-C9 tetra (<0.0001 Pa at 20 °C). The SPARC values confirm the low volatility of the substance.
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