Fatty acids, C6-12, mixed tetraesters with heptanoic acid, pentaerythritol, 3,5,5-trimethylhexanoic acid and valeric acid

Vapour pressure

Link to relevant study record(s)

Reference

Reference 1

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

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".

Reference 2

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

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".

Reference 3

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

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".

Reference 4

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).

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 T_band 0.19 for m.

The vapour pressure of pentaerythritol, tetrakis(decanoate) was calculated to be 2.7 x 10^{-8 Pa}at 20°C, using 925 K for T_band 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.

Reference 5

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

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.  

Reference 6

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.

Reference 7

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

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

Measurment^1	Temperature		Mean vapour pressure±2 x calculated error [Pa]
	[°C]	[K]	p^2	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

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.

Reference 8

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

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

Measurement^2	Temperature		Mean vapour pressure±2σ[Pa]
	[°C]	[K]	p^1	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.

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.

Reference 9

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

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

Measurement^1	Temperature		Mean vapour pressure±2 x calculated error [Pa]
	[°C]	[K]	p^1	In p
2 – 17^2	37.96	311.11	0.062 ± 0.005^2	-2.78 ± 0.07
30 – 40^2	32.47	305.62	0.030 ± 0.004^2	-3.50 ± 0.11
42 – 70^2	26.75	299.90	0.017 ± 0.002^2	-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.

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.

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.