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Diss Factsheets

Administrative data

Endpoint:
vapour pressure
Type of information:
experimental study
Adequacy of study:
key study
Study period:
Experimental Starting Date: 28 August 2014 Experimental Completion Date: 30 August 2014
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
other: see 'Remark'
Remarks:
Study conducted in compliance with agreed protocols, with no or minor deviations from standard test guidelines and/or minor methodological deficiencies, which do not affect the quality of the relevant results. The study report was conclusive, done to a valid guideline and the study was conducted under GLP conditions.

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2014
Report date:
2014

Materials and methods

Test guideline
Qualifier:
according to guideline
Guideline:
EU Method A.4 (Vapour Pressure)
Deviations:
no
GLP compliance:
yes
Type of method:
effusion method: vapour pressure balance

Test material

Constituent 1
Reference substance name:
NACET00502
IUPAC Name:
NACET00502
Constituent 2
Reference substance name:
119464-63-0 (planar)
IUPAC Name:
119464-63-0 (planar)
Test material form:
other: Clear colorless liquid
Details on test material:
Common/Commercial Name: NACET00502
Chemical Name: 3-methyl-5-((1R)-2,2,3-trimethylcyclopentyl)pentane-2-one
CAS Number: 119464-63-0 (planar)
Appearance/Physical State: Clear colorless liquid
Batch: S-13-11-1
Purity: 98.5%
Expiry Date: 24 December 2015
Storage Conditions: Room temperature in the dark

Results and discussion

Vapour pressure
Temp.:
25 °C
Vapour pressure:
2.2 Pa
Transition / decomposition
Transition / decomposition:
no

Any other information on results incl. tables

Results

Recorded temperatures, mass differences and the resulting calculated values of vapour pressure are shown in the following tables:

 

Run 1

 

Table 3.1– Vapor Pressure Data

 

Temperature (ºC)

Temperature (K)

Reciprocal Temperature (K-1)

Mass Difference (µg)

Mass Difference (kg)

Vapor Pressure (Pa)

Log10Vp

0

273.15

0.003660992

77.71

7.771E-08

0.107881389

-0.967053470

1

274.15

0.003647638

92.72

9.272E-08

0.128719115

-0.890356956

2

275.15

0.003634381

101.73

1.017E-07

0.141227303

-0.850081334

3

276.15

0.003621220

114.47

1.145E-07

0.158913687

-0.798838696

4

277.15

0.003608154

130.50

1.305E-07

0.181167434

-0.741919867

5

278.15

0.003595182

146.73

1.467E-07

0.203698832

-0.691011461

6

279.15

0.003582303

167.13

1.671E-07

0.232019258

-0.634475966

7

280.15

0.003569516

192.17

1.922E-07

0.266781194

-0.573844789

8

281.15

0.003556820

212.80

2.128E-07

0.295420919

-0.529558755

9

282.15

0.003544214

242.66

2.427E-07

0.336874249

-0.472532185

10

283.15

0.003531697

272.90

2.729E-07

0.378855117

-0.421526843

 

A plot of Log10(vapor pressure (Pa)) versus reciprocal temperature (1/T(K)) for Run 1 gives the following statistical data using an unweighted least squares treatment.

 

Slope:

-4.16 x 103

Standard error in slope:

45.3

Intercept:

14.3

Standard error in intercept:

0.163

 

The results obtained indicate the following vapor pressure relationship:

 

Log10(Vp (Pa)) = -4.16 x 103/temp(K) + 14.3

 

The above yields a vapor pressure (Pa) at 298.15 K with a common logarithm of 0.317.

Run 2

 

Table 3.2 – Vapor Pressure Data

 

Temperature (ºC)

Temperature (K)

Reciprocal Temperature (K-1)

Mass Difference (µg)

Mass Difference (kg)

Vapor Pressure (Pa)

Log10Vp

0

273.15

0.003660992

78.00

7.800E-08

0.108283983

-0.965435776

1

274.15

0.003647638

90.74

9.074E-08

0.125970367

-0.899731604

2

275.15

0.003634381

103.20

1.032E-07

0.143268040

-0.843850681

3

276.15

0.003621220

116.17

1.162E-07

0.161273723

-0.792436389

4

277.15

0.003608154

132.50

1.325E-07

0.183943946

-0.735314500

5

278.15

0.003595182

151.32

1.513E-07

0.210070928

-0.677634046

6

279.15

0.003582303

169.22

1.692E-07

0.234920714

-0.629078688

7

280.15

0.003569516

194.92

1.949E-07

0.270598898

-0.567673976

8

281.15

0.003556820

220.12

2.201E-07

0.305582954

-0.514870875

9

282.15

0.003544214

248.58

2.486E-07

0.345092726

-0.462064195

10

283.15

0.003531697

278.94

2.789E-07

0.387240184

-0.412019582

 

A plot of Log10(vapor pressure (Pa)) versus reciprocal temperature (1/T(K)) for Run 2 gives the following statistical data using an unweighted least squares treatment.

 

Slope:

-4.26 x 103

Standard error in slope:

23.5

Intercept:

14.6

Standard error in intercept:

8.45 x 10-2

 

The results obtained indicate the following vapor pressure relationship:

 

Log10(Vp (Pa)) = -4.26 x 103/temp(K) + 14.6

 

The above yields a vapor pressure (Pa) at 298.15 K with a common logarithm of 0.348.

Run 3

 

Table 3.3 – Vapor Pressure Data

 

Temperature (ºC)

Temperature (K)

Reciprocal Temperature (K-1)

Mass Difference (µg)

Mass Difference (kg)

Vapor Pressure (Pa)

Log10Vp

0

273.15

0.003660992

76.57

7.657E-08

0.106298777

-0.973471732

1

274.15

0.003647638

92.64

9.264E-08

0.128608054

-0.890731832

2

275.15

0.003634381

107.43

1.074E-07

0.149140363

-0.826404803

3

276.15

0.003621220

121.59

1.216E-07

0.168798071

-0.772632520

4

277.15

0.003608154

139.24

1.392E-07

0.193300793

-0.713766364

5

278.15

0.003595182

155.65

1.557E-07

0.216082077

-0.665381254

6

279.15

0.003582303

176.94

1.769E-07

0.245638052

-0.609704356

7

280.15

0.003569516

200.46

2.005E-07

0.278289838

-0.555502653

8

281.15

0.003556820

221.26

2.213E-07

0.307165566

-0.512627471

9

282.15

0.003544214

250.18

2.502E-07

0.347313936

-0.459277791

10

283.15

0.003531697

281.35

2.814E-07

0.390585881

-0.408283459

 

A plot of Log10(vapor pressure (Pa)) versus reciprocal temperature (1/T(K)) for Run 3 gives the following statistical data using an unweighted least squares treatment.

 

Slope:

-4.24 x 103

Standard error in slope:

80.8

Intercept:

14.6

Standard error in intercept:

0.290

 

The results obtained indicate the following vapor pressure relationship:

 

Log10(Vp (Pa)) = -4.24 x 103/temp(K) + 14.6

 

The above yields a vapor pressure (Pa) at 298.15 K with a common logarithm of 0.354.

Run 4

 

Table 3.4 – Vapor Pressure Data

 

Temperature (ºC)

Temperature (K)

Reciprocal Temperature (K-1)

Mass Difference (µg)

Mass Difference (kg)

Vapor Pressure (Pa)

Log10Vp

0

273.15

0.003660992

78.87

7.887E-08

0.109491766

-0.960618538

1

274.15

0.003647638

93.00

9.300E-08

0.129107826

-0.889047430

2

275.15

0.003634381

105.68

1.057E-07

0.146710915

-0.833537574

3

276.15

0.003621220

121.35

1.214E-07

0.168464890

-0.773490598

4

277.15

0.003608154

138.35

1.384E-07

0.192065245

-0.716551215

5

278.15

0.003595182

155.40

1.554E-07

0.215735013

-0.666079364

6

279.15

0.003582303

183.32

1.833E-07

0.254495126

-0.594320530

7

280.15

0.003569516

200.78

2.008E-07

0.278734080

-0.554809929

8

281.15

0.003556820

224.47

2.245E-07

0.311621869

-0.506372072

9

282.15

0.003544214

257.65

2.577E-07

0.357684210

-0.446500232

10

283.15

0.003531697

287.59

2.876E-07

0.399248600

-0.398756598

 

A plot of Log10(vapor pressure (Pa)) versus reciprocal temperature (1/T(K)) for Run 4 gives the following statistical data using an unweighted least squares treatment.

 

Slope:

-4.31 x 103

Standard error in slope:

55.6

Intercept:

14.8

Standard error in intercept:

0.200

 

The results obtained indicate the following vapor pressure relationship:

 

Log10(Vp (Pa)) = -4.31 x 103/temp(K) + 14.8

 

The above yields a vapor pressure (Pa) at 298.15 K with a common logarithm of 0.373.

Run 5

 

Table 3.5 – Vapor Pressure Data

 

Temperature (ºC)

Temperature (K)

Reciprocal Temperature (K-1)

Mass Difference (µg)

Mass Difference (kg)

Vapor Pressure (Pa)

Log10Vp

0

273.15

0.003660992

81.29

8.129E-08

0.112851346

-0.947493255

1

274.15

0.003647638

94.08

9.408E-08

0.130607143

-0.884033070

2

275.15

0.003634381

105.25

1.053E-07

0.146113965

-0.835308274

3

276.15

0.003621220

124.24

1.242E-07

0.172476950

-0.763268936

4

277.15

0.003608154

140.53

1.405E-07

0.195091644

-0.709761332

5

278.15

0.003595182

158.05

1.581E-07

0.219413892

-0.658735879

6

279.15

0.003582303

175.69

1.757E-07

0.243902732

-0.612783336

7

280.15

0.003569516

199.49

1.995E-07

0.276943229

-0.557609248

8

281.15

0.003556820

221.66

2.217E-07

0.307720869

-0.511843050

9

282.15

0.003544214

252.09

2.521E-07

0.349965505

-0.455974760

10

283.15

0.003531697

279.07

2.791E-07

0.387420657

-0.411817226

 

A plot of Log10(vapor pressure (Pa)) versus reciprocal temperature (1/T(K)) for Run 5 gives the following statistical data using an unweighted least squares treatment.

 

Slope:

-4.13 x 103

Standard error in slope:

54.6

Intercept:

14.2

Standard error in intercept:

0.196

 

The results obtained indicate the following vapor pressure relationship:

 

Log10(Vp (Pa)) = -4.13 x 103/temp(K) + 14.2

 

The above yields a vapor pressure (Pa) at 298.15 K with a common logarithm of 0.330.

Please see Attachment 2 for the Graphs of Log10Vapor Pressure vs Reciprocal Temperature.

 

Applicant's summary and conclusion

Conclusions:
The vapor pressure of the test item has been determined to be 2.2 Pa at 25 ºC.
Executive summary:

The determination was carried out using a procedure designed to be compatible with Method A4 Vapour Pressure of Commission Regulation (EC) No 440/2008 of 30 May 2008.

Summary of Results

The values of vapor pressure at 25 °C extrapolated from each graph are summarized in the following table:

 

Table 3.6 – Summary of Vapor Pressure Data

 

Run

Log10[Vp(25 ºC)]

1

0.317

2

0.348

3

0.354

4

0.373

5

0.330

Mean

0.344

Vapor Pressure

2.21 Pa

 

The test item did not change in appearance under the conditions used in the determination.

 

Conclusion

The vapor pressure of the test item has been determined to be 2.2 Pa at 25 ºC.