Reaction product of n-nonanoic acid (C9), n-heptanoic acid (C7), n-pentanoic acid (C5), mixed tetraesters with pentaerythritol, and 3,5,5-trimethylhexanoic acid

Vapour pressure

Link to relevant study record(s)

Reference

Reference 1

Endpoint:

vapour pressure

Type of information:

experimental study

Adequacy of study:

key study

Study period:

30 to 31 October 2003

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)

Deviations:

not specified

Qualifier:

according to guideline

Guideline:

EU Method A.4 (Vapour Pressure)

Deviations:

not specified

GLP compliance:

yes

Type of method:

static method

Key result

Temp.:

20 °C

Vapour pressure:

4.9 Pa

Key result

Temp.:

20 °C

Vapour pressure:

0.037 mm Hg

Vapour pressure of Hatcol 2352 at 3 different temperatures

Measurement	Temperature		Mean vapour pressure±2 x calculated error [pa]
	[°C]	[K]	p	In p
1 – 9	37.33	310.48	32.9±0.5	3.49±0.02
10 – 22	32.06	305.21	18.3±0.2	2.90±0.01
25 – 35	25.49	298.64	9.23±0.14	2.22±0.01

 

Conclusions:

Using the Static Technique, the vapour pressure of Hatcol 2352 at 20°C is:
P (20°C) = 4.9 ± 0.4 Pa = (3.7 ± 0.3) x 10E-2 mm Hg

Executive summary:

The determination of the vapour pressure of Hatcol 2352 was performed in accordance with 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 2352 at 20°C is:

P (20°C) = 4.9 ± 0.4 Pa = (3.7 ± 0.3) x 10^-2 mm Hg

 

According to the OECD guideline, the recommended range for the Static method is: 10 up to 10⁵ Pa. However, when using a capacitance manometer, the Static method can 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 2352 at the three test temperatures were all between 8 and 34 Pa.

All sensors, thermometers and pressure sensor heads were calibrated over the ranges used in the experiments. Pressure sensor heads were calibrated from high vacuum (<< 10^-5 Pa) to be read as "0"-value up to 1 Pa. The thermometers were calibrated in the measurement range used for testing.

Reference 2

Endpoint:

vapour pressure

Type of information:

experimental study

Adequacy of study:

key study

Study period:

21 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)

Deviations:

not specified

Qualifier:

according to guideline

Guideline:

EU Method A.4 (Vapour Pressure)

Deviations:

not specified

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

Vapour pressure of Hatcol 3331 at 3 different temperatures

Measurement^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 the calculations

²A correction for thermal transpiration was applied on each of the measurements

 

The measured vapour pressures and their natural logarithms are summarised in the table below and are expressed in Pa. The values were rounded off before printing.

nr	p/mPa	In(p/Pa)	nr	p/mPa	In(p/Pa)	nr	p/mPa	In(p/Pa)
1	66.0	-2.72 *	23	27.8	-3.58	36	42.6	-3.16 *
2	64.5	-2.74 *	24	25.6	-3.66	37	27.5	-3.59 *
3	61.0	-2.80 *	25	30.4	-3.49	38	21.0	-3.86 *
4	64.4	-2.74 *	26	27.6	-3.59	39	19.7	-3.93 *
5	61.0	-2.80 *	27	30.0	-3.51	40	17.8	-4.03 *
6	66.8	-2.71 *	28	30.8	-3.48	41	18.1	-4.01 *
7	62.7	-2.77 *	29	26.1	-3.64	42	15.9	-4.14
8	62.9	-2.77 *	30	25.5	-3.67	43	14.8	-4.21
9	61.2	-2.81	31	27.6	-3.59	44	15.2	-4.19
10	60.3	-2.83	32	29.9	-3.51	45	15.7	-4.15
11	59.0	-2.91	33	28.0	-3.58	46	14.6	-4.23
12	54.7	-2.77	34	26.9	-3.62	47	13.6	-4.30
13	62.4	-2.84	35	28.7	-3.55	48	13.9	-4.27
14	58.6	-2.86				49	15.8	-4.15
15	57.0	-2.89				50	15.1	-4.20
16	55.7	-2.89				51	13.7	-4.29
17	55.7	-2.89
18	55.9	-2.85
19	57.6	-2.89
20	55.6	-2.95
21	52.6	-2.88
22	56.2	-2.81

*System instability. The (In) p values obtained during this measurement were not used for the calculations.

Conclusions:

The vapour pressure of Hatcol 3331 at 20'C was determined to be:
P (20°C) = (5.7±0.7) x 10E-3 Pa = (4.3± 0.5) x 10E-5 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 fortesting 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^-3Pa = (4.3 ± 0.5) x 10^-5mm Hg

 

Discussion:

According to the guideline, the recommended range for the Static method is: 10 up to 10⁵Pa.

When using a capacitance manometer, the Static method can even be used below 10^-1Pa (according to guideline's paragraph 'Apparatus’. This study was performed using a capacitance manometer with a measurement range of 6 x 10 Pa – 2 x 10 Pa. The vapour pressuresmeasured for Hatcol 3331 were all > 1 x 10^-2Pa.

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^-5Pa) to be seen as "0"-value up to 1 Pa, The thermometers were calibrated in the measurement range used for testing.

Reference 3

Endpoint:

vapour pressure

Type of information:

experimental study

Adequacy of study:

key study

Study period:

14 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)

Deviations:

not specified

Qualifier:

according to guideline

Guideline:

EU Method A.4 (Vapour Pressure)

Deviations:

not specified

GLP compliance:

yes

Type of method:

static method

Key result

Temp.:

20 °C

Vapour pressure:

0 mm Hg

Key result

Temp.:

20 °C

Vapour pressure:

0.004 Pa

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 HatcoI 3344.

 

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

¹Corrected for thermal transpiration

²Not all of the measurements were used for calculations

Conclusions:

The vapour pressure of Hatcol 3344 at 20°C was determined to be:
p (20°C) = (4.5 ± 0.8) x 10e-3 Pa = (3.4 ± 0.6) x 10e-5 mm Hg

Executive summary:

The determination of the vapour pressure of HatcoI 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 pressuren, 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^-3Pa = (3.4 ± 0.6) x 10^-5mm Hg

 

According to the guideline, the recommended range forthe Static method is: 10 up to 10⁵Pa.

When using a capacitance manometer, the Static method can even be used below 10^-1Pa(according to guideline's paragraph 'Apparatus’) This study was performed using a capacitancemanometer with a measurement range of 6x10^-3Pa - 2x10⁵Pa. The vapour pressuresmeasured 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^-5Pa to be seen as "0"-value up to 1 Pa. The thermometers were calibrated in the measurement range used for testing.

Reference 4

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)

Deviations:

not specified

Qualifier:

according to guideline

Guideline:

EU Method A.4 (Vapour Pressure)

Deviations:

not specified

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

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

¹Not all of the measurements were used for the calculations

²A correction for thermal transpiration was supplied on each of the measurement

Conclusions:

The vapour pressure of Hatcol 5236 at 20.0°C was determined to be:
p (20°C) = (7.5 ± 1.4)x10e-3 Pa = (5.6 ± 1.1)x10e-5 mm Hg

Executive summary:

Guidelines:

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:

The vapour pressure of Hatea1 5236 at 20.0°C was determined to be:

p (20°C) = (7.5 ± 1.4)x10^-3Pa = (5.6 ± 1.1)x10^-5mm Hg

 

Discussion:

According to the OECD guideline, the recommended range for the Static method is: 10 up to 10⁵Pa. When using a capacitance manometer, the Static method can even be used below 10^-1Pa (according to guideline's paragraph 'Apparatus'). This study was performed using a capacitance manometer with a measurement range of 6x10^-3Pa - 2x10⁵Pa. The vapour pressures measured for Hatcol 5236 at the three test temperatures were all between 1.5x10^-2Pa and 6.8x10^-2Pa.

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^-5Pa) to be seen as "0"-value up to 1 Pa. The thermometers were calibrated in the measurement range used for testing.

Reference 5

Endpoint:

vapour pressure

Type of information:

experimental study

Adequacy of study:

key study

Study period:

08 July 2010- 30 July 2010

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

other: This study has been performed according to OECD and EC guidelines and according to GLP principles.

Qualifier:

according to guideline

Guideline:

OECD Guideline 104 (Vapour Pressure Curve)

Deviations:

no

Qualifier:

according to guideline

Guideline:

EU Method A.4 (Vapour Pressure)

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Type of method:

effusion method: by loss of weight or by trapping vaporisate

Key result

Temp.:

20 °C

Vapour pressure:

0 Pa

Conclusions:

The isothermal thermogravimetric effusion method was chosen for the determination of the vapour pressure of Decanoic acid, mixed esters with heptanoic acid, octanoic acid and trimethylolpropane. The vapour pressure of the test substance at 20°C (293K) was 7.55 x 10E-6 Pa = 5.66 x 10E-8 mm Hg.

Reference 6

Endpoint:

vapour pressure

Type of information:

(Q)SAR

Adequacy of study:

weight of evidence

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

other: Accepted calculation method.

Justification for type of information:

QSAR prediction: migrated from IUCLID 5.6

Principles of method if other than guideline:

Calculation with use of SPARC online calculator v4.5, 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: Result is given as 5.54E-18 Pa at 20 °C

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 7

Endpoint:

vapour pressure

Type of information:

experimental study

Adequacy of study:

weight of evidence

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

other: Accepted calculation method.

Justification for type of information:

QSAR prediction: migrated from IUCLID 5.6

Qualifier:

no guideline followed

Principles of method if other than guideline:

Calculation with use of SPARC online calculator v4.5, 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".

Description of key information

Result determined using OCED guideline 104 and EU test guideline A4.

Key value for chemical safety assessment

Vapour pressure:

4.9 Pa

at the temperature of:

20 °C

Additional information

HATCOL 2352 

Using the Static Technique, the vapour pressure of Hatcol 2352 at 20°C is:

P (20°C) = 4.9 ± 0.4 Pa = (3.7 ± 0.3) x 10^-2mm Hg

According to the OECD guideline, the recommended range for the Static method is: 10 up to 10⁵Pa. However, when using a capacitance manometer, the Static method can be used below 10^-1Pa. This study was performed using a capacitance manometer with a measurement range of 6 x 10^-3Pa – 2 x 10⁵Pa. The vapour pressures measured for Hatcol 2352 at the three test temperatures were all between 8 and 34 Pa.

All sensors, thermometers and pressure sensor heads were calibrated over the ranges used in the experiments. Pressure sensor heads were calibrated from high vacuum (<< 10^-5Pa) to be read as "0"-value up to 1 Pa. The thermometers were calibrated in the measurement range used for testing.

 

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^-3Pa = (4.3 ± 0.5) x 10^-5mm Hg

 

HATCOL 3344

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^-3Pa = (3.4 ± 0.6) x 10^-5mm Hg  

HATCOL 5236

The vapour pressure of Hatea1 5236 at 20.0°C was determined to be:

p (20°C) = (7.5 ± 1.4)x10^-3Pa = (5.6 ± 1.1)x10^-5mm Hg

HATCOL 1510

The isothermal thermogravimetric effusion method was chosen for the determination of the vapour pressure of Decanoic acid, mixed esters with heptanoic acid, octanoic acid and trimethylolpropane.

The vapour pressure of the test substance at 20°C (293K) was 7.55 x 10E-6 Pa = 5.66 x 10E-8 mm Hg.

Hatcol 1765

The vapour pressure of the substance pentaerythritol tetraesters of n-decanoic, n-heptanoic, n-octanoic and n-valeric acids (CAS 68424 -31 -7) was determined by QSAR calculation with SPARC (v4.5) for the two exemplary components covering both ends of the substance specification.