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Physical & Chemical properties

Vapour pressure

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Reference
Endpoint:
vapour pressure
Type of information:
experimental study
Adequacy of study:
key study
Study period:
16 May 2017 - 17 May 2017
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Remarks:
Study conducted according to OECD 104 and EU A.4 guidelines, under GLP without deviation and with certificate of analysis included.
Reason / purpose for cross-reference:
reference to same study
Reason / purpose for cross-reference:
reference to other study
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)
Remarks:
2017-01-10
Type of method:
static method
Test no.:
#1
Temp.:
293.15 K
Vapour pressure:
ca. 79 Pa
Remarks on result:
other: First trial
Test no.:
#1
Temp.:
298.15 K
Vapour pressure:
ca. 131 Pa
Remarks on result:
other: First trial
Test no.:
#2
Temp.:
293.15 K
Vapour pressure:
ca. 86 Pa
Remarks on result:
other: Second trial
Test no.:
#2
Temp.:
298.15 K
Vapour pressure:
ca. 134 Pa
Remarks on result:
other: Second trial
Key result
Temp.:
293.15 K
Vapour pressure:
ca. 83 Pa
Remarks on result:
other: Mean
Key result
Temp.:
298.15 K
Vapour pressure:
ca. 133 Pa
Remarks on result:
other: Mean

First trial:

Vapour Pressure (Pa)

Time (hh:mn)

Corresponding Temperature (°C)

Temperature (K)

1/T (K-1)

Log10(p)

120

10:50

24.1

297.25

3.364E-03

2.079

146

11:25

26.1

299.25

3.342E-03

2.164

175

12:00

28.1

301.25

3.320E-03

2.243

215

13:00

30.0

303.15

3.299E-03

2.332

260

13:50

32.0

305.15

3.277E-03

2.415

A plot of Log10(p) versus reciprocal temperature (1/T) (with p in Pa and T in K) gives the following statistical data using an unweighted least square treatment.

Slope              -3864.80 

Intercept          15.079 

R²                   0.9992

 

The results obtained indicate the following vapour pressure relationship: 

Log10(p (Pa)) = -3864.8 / T (K) + 15.079

 

The above equation yields a vapour pressure of 79 Pa at 293.15 K and 131 Pa at 298.15 K.

Second trial:

Vapour Pressure (Pa)

Time (hh:mn)

Corresponding Temperature (°C)

Temperature (K)

1/T (K-1)

Log10(p)

125

14:50

24.1

297.25

3.364E-03

2.097

148

15:20

26.1

299.25

3.342E-03

2.170

170

16:00

28.0

301.15

3.321E-03

2.230

205

16:30

30.0

303.15

3.299E-03

2.312

245

17:00

32.0

305.15

3.277E-03

2.389

A plot of Log10(p) versus reciprocal temperature (1/T) (with p in Pa and T in K) gives the following statistical data using an unweighted least square treatment.

Slope              -3343.0

Intercept          13.34 

R²                   0.9979

 

The results obtained indicate the following vapour pressure relationship:

Log10(p (Pa)) = -3343.0 / T (K) + 13.34

 

The above equation yields a vapour pressure of 86 Pa at 293.15 K and 134 Pa at 298.15 K.

Conclusions:
The vapour pressure of (E,Z)-2,6-DIMETHYLOCTA-2,4,6-TRIENE is 83 Pa at 20°C and 133 Pa at 25°C.
Executive summary:

A study was performed to determine the vapour pressure of test item (E,Z)-2,6-DIMETHYLOCTA-2,4,6-TRIENE. The method followed was designed to be compliant with the OECD Guideline for Testing of Chemicals No. 104, "Vapour Pressure", adopted in March, 2006 and Regulation (EC) No 761/2009, EC A4, 23 July 2009.

In this analytical method, the vapour pressure of the test item at thermodynamic equilibrium was determined at various specified temperatures (from 24 to 32°C).

The Log10(Vapour Pressure (Pa)) was plotted against 1/T (K) and a linear function was obtained. With this equation, the vapour pressure has been calculated for temperatures of 20°C and 25°C.

Two trials were conducted and five points were recorded for each trial.

Log10 (Vapour Pressure (Pa)) was plotted against reciprocal temperature and values of vapour pressure were calculated at 20°C and 25°C with the linear function parameters (slope and intercept).

 Trial Vapour pressure at 293.15 K  Vapour pressure at 298.15 K 
 1  79 Pa  131 Pa
 2  86 Pa  134 Pa
 Mean  83 Pa  133 Pa

These values respect validity criteria (less than 20% of difference) and the linear functions obtained own a correlation coefficient R² over 0.95.

Moreover the calculated values showed good correspondence with the experimentally determined ones.

In conclusion, the vapour pressure of (E,Z)-2,6-DIMETHYLOCTA-2,4,6-TRIENE is 83 Pa at 20°C and 133 Pa at 25°C.

Description of key information

The vapour pressure of (E,Z)-2,6-DIMETHYLOCTA-2,4,6-TRIENE is:
83 Pa at 20°C

133 Pa at 25°C

Key value for chemical safety assessment

Vapour pressure:
83 Pa
at the temperature of:
20 °C

Additional information

A study was conducted according to OECD 104 and EU A.4 guidelines to measure vapour pressure. As the results were obtained under GLP without deviation, they were considered as valid and reliable without restriction and used to propose a key value.