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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:
This study was conducted between 02 June 2017 and 08 June 2017
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
other: Information is derived from a reliable GLP study using the balance method according to OECD TG 104.
Qualifier:
according to guideline
Guideline:
OECD Guideline 104 (Vapour Pressure Curve)
Version / remarks:
23 March 2006
Deviations:
no
Qualifier:
according to guideline
Guideline:
EU Method A.4 (Vapour Pressure)
Version / remarks:
EC No. 440/2008 of 30 May 2008
Deviations:
no
GLP compliance:
yes (incl. QA statement)
Type of method:
effusion method: vapour pressure balance
Specific details on test material used for the study:
Information as provided by the Sponsor.
Identification: 4,4'-(1,3-Phenylenediisopropylidene) diphenylcyanate
CAS No.: 127667-44-1
Envigo Appearance/Physical state: Yellow viscous liquid
Sponsor Appearance/Physical state: Highly viscous yellowish liquid
Batch: FAR366085A
Purity: Not indicated by the Sponsor
Expiry date: 29 September 2019
Envigo Storage conditions: Approximately 4 °C in the dark
Sponsor Storage conditions In a refrigerator at 2 to 8 °C
Stability in Solvent: Not indicated by the Sponsor
Purpose of Use: Industrial chemical
Safety Precautions: Routine hygienic procedures will be sufficient to ensure personnel health and safety. Additional measures were provided according to the safety data sheet
Key result
Temp.:
25 °C
Vapour pressure:
< 0 Pa
Transition / decomposition:
no

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

Run 2

Table1– Vapor Pressure Data

Temperature (ºC)

Temperature (K)

Reciprocal Temperature (K-1)

Mass Difference (µg)

Mass Difference (kg)

Vapor Pressure (Pa)

Log10Vp

100

373.15

0.002679887

21.94

2.194E-08

0.030458341

-1.516293755

101

374.15

0.002672725

23.04

2.304E-08

0.031985423

-1.495047904

102

375.15

0.002665600

24.00

2.400E-08

0.033318149

-1.477319137

103

376.15

0.002658514

25.69

2.569E-08

0.035664302

-1.447766274

104

377.15

0.002651465

26.32

2.632E-08

0.036538903

-1.437244494

105

378.15

0.002644453

28.98

2.898E-08

0.040231665

-1.395431998

106

379.15

0.002637479

45.92

4.592E-08

0.063748725

-1.195528499

107

380.15

0.002630541

30.42

3.042E-08

0.042230754

-1.374371169

108

381.15

0.002623639

33.55

3.355E-08

0.046575995

-1.331837854

109

382.15

0.002616774

35.02

3.502E-08

0.048616732

-1.313214237

110

383.15

0.002609944

37.44

3.744E-08

0.051976312

-1.284194539

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:

-3.53 x 103

Standard error in slope:

808

 

Intercept:

7.95

Standard error in intercept:

2.14

The results obtained indicate the following vapor pressure relationship:

Log10(Vp (Pa)) = -3.53 x 103/temp(K) + 7.95

The above yields a vapor pressure (Pa) at 298.15 K with a common logarithm of -3.89.

Run 3

Table2– Vapor Pressure Data

Temperature (ºC)

Temperature (K)

Reciprocal Temperature (K-1)

Mass Difference (µg)

Mass Difference (kg)

Vapor Pressure (Pa)

Log10Vp

100

373.15

0.002679887

17.16

1.716E-08

0.023822476

-1.623013095

101

374.15

0.002672725

18.93

1.893E-08

0.026279690

-1.580379765

102

375.15

0.002665600

19.57

1.957E-08

0.027168174

-1.565939553

103

376.15

0.002658514

19.42

1.942E-08

0.026959935

-1.569281153

104

377.15

0.002651465

20.12

2.012E-08

0.027931715

-1.553902402

105

378.15

0.002644453

22.32

2.232E-08

0.030985878

-1.508836188

106

379.15

0.002637479

23.05

2.305E-08

0.031999305

-1.494859449

107

380.15

0.002630541

28.00

2.800E-08

0.038871174

-1.410372347

108

381.15

0.002623639

25.62

2.562E-08

0.035567124

-1.448951253

109

382.15

0.002616774

28.13

2.813E-08

0.039051647

-1.408360647

110

383.15

0.002609944

30.06

3.006E-08

0.041730981

-1.379541402

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:

-3.42 x 103

Standard error in slope:

293

 

Intercept:

7.54

Standard error in intercept:

0.774

The results obtained indicate the following vapor pressure relationship:

Log10(Vp (Pa)) = -3.42 x 103/temp(K) + 7.54

The above yields a vapor pressure (Pa) at 298.15 K with a common logarithm of -3.93.

Run 4

Table3– Vapor Pressure Data

Temperature (ºC)

Temperature (K)

Reciprocal Temperature (K-1)

Mass Difference (µg)

Mass Difference (kg)

Vapor Pressure (Pa)

Log10Vp

100

373.15

0.002679887

13.52

1.352E-08

0.018769224

-1.726553687

101

374.15

0.002672725

14.70

1.470E-08

0.020407366

-1.690213044

102

375.15

0.002665600

16.27

1.627E-08

0.022586928

-1.646142826

103

376.15

0.002658514

16.77

1.677E-08

0.023281056

-1.632997316

104

377.15

0.002651465

17.02

1.702E-08

0.023628120

-1.626570823

105

378.15

0.002644453

18.81

1.881E-08

0.026113099

-1.583141583

106

379.15

0.002637479

20.77

2.077E-08

0.028834081

-1.540093882

107

380.15

0.002630541

20.47

2.047E-08

0.028417604

-1.546412536

108

381.15

0.002623639

22.18

2.218E-08

0.030791522

-1.511568837

109

382.15

0.002616774

22.97

2.297E-08

0.031888245

-1.496369384

110

383.15

0.002609944

25.37

2.537E-08

0.035220060

-1.453209912

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:

-3.65 x 103

Standard error in slope:

169

 

Intercept:

8.06

Standard error in intercept:

0.448

The results obtained indicate the following vapor pressure relationship:

Log10(Vp (Pa)) = -3.65 x 103/temp(K) + 8.06

The above yields a vapor pressure (Pa) at 298.15 K with a common logarithm of -4.17.

Run 5

Table4– Vapor Pressure Data

Temperature (ºC)

Temperature (K)

Reciprocal Temperature (K-1)

Mass Difference (µg)

Mass Difference (kg)

Vapor Pressure (Pa)

Log10Vp

100

373.15

0.002679887

11.29

1.129E-08

0.015673412

-1.804836437

101

374.15

0.002672725

12.95

1.295E-08

0.017977918

-1.745260610

102

375.15

0.002665600

15.01

1.501E-08

0.020837726

-1.681149686

103

376.15

0.002658514

16.19

1.619E-08

0.022475868

-1.648283530

104

377.15

0.002651465

14.91

1.491E-08

0.020698900

-1.684052735

105

378.15

0.002644453

17.13

1.713E-08

0.023780829

-1.623773016

106

379.15

0.002637479

16.85

1.685E-08

0.023392117

-1.630930474

107

380.15

0.002630541

18.12

1.812E-08

0.025155202

-1.599372185

108

381.15

0.002623639

19.93

1.993E-08

0.027667946

-1.558023080

109

382.15

0.002616774

20.93

2.093E-08

0.029056202

-1.536761150

110

383.15

0.002609944

21.05

2.105E-08

0.029222793

-1.534278279

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:

-3.52 x 103

Standard error in slope:

345

 

Intercept:

7.67

Standard error in intercept:

0.912

The results obtained indicate the following vapor pressure relationship:

Log10(Vp (Pa)) = -3.52 x 103/temp(K) + 7.67

The above yields a vapor pressure (Pa) at 298.15 K with a common logarithm of -4.14

.

Run 6

Table5– Vapor Pressure Data

Temperature (ºC)

Temperature (K)

Reciprocal Temperature (K-1)

Mass Difference (µg)

Mass Difference (kg)

Vapor Pressure (Pa)

Log10Vp

100

373.15

0.002679887

8.69

8.690E-09

0.012063946

-1.918510602

101

374.15

0.002672725

12.14

1.214E-08

0.016853430

-1.773311692

102

375.15

0.002665600

16.70

1.670E-08

0.023183879

-1.634813908

103

376.15

0.002658514

11.81

1.181E-08

0.016395306

-1.785280481

104

377.15

0.002651465

12.72

1.272E-08

0.017658619

-1.753043267

105

378.15

0.002644453

12.02

1.202E-08

0.016686840

-1.777625911

106

379.15

0.002637479

13.53

1.353E-08

0.018783106

-1.726232582

107

380.15

0.002630541

13.14

1.314E-08

0.018241686

-1.738935014

108

381.15

0.002623639

13.88

1.388E-08

0.019268996

-1.715140913

109

382.15

0.002616774

15.58

1.558E-08

0.021629032

-1.664962925

110

383.15

0.002609944

15.39

1.539E-08

0.021365263

-1.670291759

A plot of Log10(vapor pressure (Pa)) versus reciprocal temperature (1/T(K)) for Run 6 gives the following statistical data using an unweighted least squares treatment.

Slope:

-2.02 x 103

Standard error in slope:

874

 

Intercept:

3.60

Standard error in intercept:

2.31

The results obtained indicate the following vapor pressure relationship:

Log10(Vp (Pa)) = -2.02 x 103/temp(K) + 3.60

The above yields a vapor pressure (Pa) at 298.15 K with a common logarithm of -3.18.

Summary of Results

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

Table6            Summary of Vapor Pressure Data

Run

Log10[Vp(25 ºC)]

2

-3.89

3

-3.93

4

-4.17

5

-4.14

6

-3.18

Mean

-3.86

Vapor Pressure

1.37 x 10-4Pa

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

Conclusions:
The vapor pressure of the test item has been determined to be 1.4 x 10-4 Pa at 25 ºC.
Executive summary:

The vapor pressure of 4,4'-(1,3-Phenylenediisopropylidene) diphenylcyanate has been determinedto be 1.4 x 10-4Pa at 25 °C, using the vapor pressure balance method,designed to be compatible with Method A.4 Vapour Pressure of Commission Regulation (EC) No 440/2008 of 30 May 2008 and Method 104 of the OECD Guidelines for Testing of Chemicals, 23 March 2006

Description of key information

Density. 1.11 x 103 kg/m3 at 20.0 ± 0.5 °C, relative density: 1.11, using the pycnometer method, designed to be compatible with Method A.3 Relative Density of Commission Regulation (EC) No 440/2008 of 30 May 2008 and Method 109 of the OECD Guidelines for Testing of Chemicals, 02 October 2012.

Key value for chemical safety assessment

Vapour pressure:
0.001 Pa
at the temperature of:
25 °C

Additional information

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