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Vapour pressure

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Reference
Endpoint:
vapour pressure
Type of information:
experimental study
Adequacy of study:
key study
Study period:
September 2015
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:
reference to other study
Qualifier:
according to
Guideline:
OECD Guideline 104 (Vapour Pressure Curve)
Deviations:
no
Qualifier:
according to
Guideline:
EU Method A.4 (Vapour Pressure)
Deviations:
no
GLP compliance:
yes (incl. certificate)
Remarks:
2015-03-05
Type of method:
dynamic method
Remarks:
Knudsen Effusion Method
Test no.:
#1
Temp.:
293.15 K
Vapour pressure:
ca. 3.33 Pa
Remarks on result:
other: First trial
Test no.:
#1
Temp.:
298.15 K
Vapour pressure:
ca. 6.11 Pa
Remarks on result:
other: First trial
Test no.:
#2
Temp.:
293.15 K
Vapour pressure:
ca. 3.93 Pa
Remarks on result:
other: Second trial
Test no.:
#2
Temp.:
298.15 K
Vapour pressure:
ca. 7.04 Pa
Remarks on result:
other: Second trial
Key result
Temp.:
293.15 K
Vapour pressure:
ca. 3.63 Pa
Remarks on result:
other: Mean
Key result
Temp.:
298.15 K
Vapour pressure:
ca. 6.58 Pa
Remarks on result:
other: Mean

First trial:

Mass loss (mg)

Mass loss duration (s)

Vapour pressure (Pa)

Temperature (K)

1/T (K-1)

Log10(p)

0.619

600

5.43

296,65

3,371E-03

0,7349

0.732

600

6.45

298.95

3,345E-03

0,8094

1.432

600

12.74

304.85

3,280E-03

1,1050

3.084

600

27.72

311.25

3,213E-03

1,4427

6.574

600

59.76

318.45

3,140E-03

1,7764

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              -4604.2 

Intercept          16.229 

                   0.998

 

The results obtained indicate the following vapour pressure relationship: 

Log10(p (Pa)) = -4604.2 / T (K) +16.229

 

The above equation yields a vapour pressure of 3.33 Pa at 293.15 K and 6.11 Pa at 298.15 K.

Second trial:

Mass loss (mg)

Mass loss duration (s)

Vapour pressure (Pa)

Temperature (K)

1/T (K-1)

Log10(p)

0.644

600

5.65

296,15

3,377E-03

0,7517

0.844

600

7.43

298.85

3,346E-03

0,8711

1.700

600

15.12

304.95

3,279E-03

1,1796

3.498

600

31.45

311.55

3,210E-03

1,4976

7.105

600

64.65

319.05

3,134E-03

1,8105

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              -4420.8

Intercept          15.675

                   0.9995

 

The results obtained indicate the following vapour pressure relationship:

Log10(p (Pa)) = -4420.8/ T (K) +15.675

 

The above equation yields a vapour pressure of 3.93 Pa at 293.15 K and 7.04 Pa at 298.15 K.

Conclusions:
Using the Knudsen Effusion method according to guideline OECD 104 and method EU A.4, the vapour pressure of NERYL ACETATE is 3.63 Pa at 20°C and 6.58 Pa at 25°C.
Executive summary:

A study was performed to determine the vapour pressure of test item NERYL ACETATE. 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 dynamic method, the mass of the test substance flowing out per unit of time of a Knudsen cell in the form of vapour, through a micro-orifice under ultra-vacuum conditions was determined at various specified temperatures (from 25 to 65°C). The Hertz-Knudsen equation was used to calculate the vapour pressure corresponding to the mass loss rate.

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.

Log (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).

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 NERYL ACETATE is 3.63 Pa at 20°C and 6.58 Pa at 25°C.

Description of key information

The vapour pressure of neryl acetate is:
3.63 Pa at 20°C

6.58 Pa at 25°C

Key value for chemical safety assessment

Vapour pressure:
3.63 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 of neryl acetate. 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.