Reaction products of 4,4'-(1,3-phenylene-bis(1-methylethylidene))bis-phenol and cyanogen bromide

Vapour pressure

Link to relevant study record(s)

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 10^3
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 10^3
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 10^3
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 10^3
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 10^3
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