phosphonic acid, [2-(4-aminophenyl)-1-hydroxyethylidene]bis-, monosodium salt

Vapour pressure

Administrative data

Endpoint:

vapour pressure

Type of information:

experimental study

Adequacy of study:

key study

Study period:

The study was conducted between 17 August 2018 and 22 August 2018.

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2018

Report date:

2018

Materials and methods

Test guideline

Test guideline 1

Qualifier:

according to guideline

Guideline:

OECD Guideline 104 (Vapour Pressure Curve)

Deviations:

no

Test guideline 2

Qualifier:

according to guideline

Guideline:

EU Method A.4 (Vapour Pressure)

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Type of method:

effusion method: vapour pressure balance

Test material

Test material information

Constituent 1

Reference substance name:

phosphonic acid, [2-(4-aminophenyl)-1-hydroxyethylidene]bis-, monosodium salt

EC Number:

828-215-2

Cas Number:

172796-84-8

Molecular formula:

C8H12NO7P2Na

IUPAC Name:

phosphonic acid, [2-(4-aminophenyl)-1-hydroxyethylidene]bis-, monosodium salt

impurity 1

Reference substance name:

4-aminophenylacetic acid

EC Number:

214-828-7

EC Name:

4-aminophenylacetic acid

Cas Number:

1197-55-3

Molecular formula:

C8H9NO2

IUPAC Name:

4-aminophenylacetic acid

impurity 2

Reference substance name:

EBP dimer

Molecular formula:

C16H22N2O12P4

IUPAC Name:

EBP dimer

Test material form:

solid: particulate/powder

Specific details on test material used for the study:

Identification: Phosphonic acid, [2-(4-aminophenyl)-1-hydroxyethylidene]bis-, monosodium salt (“EBP”)

SOURCE OF TEST MATERIAL
- Source and lot/batch No.of test material: CHPC071917EBP
- Expiration date of the lot/batch: 01 July 2019

STABILITY AND STORAGE CONDITIONS OF TEST MATERIAL
- Storage condition of test material: Room temperature in the dark

OTHER SPECIFICS:
- Appearance/Physical state: Beige colored powder
- Purity: > 98%

Results and discussion

Vapour pressure

Key result

Test no.:

#1

Temp.:

25 °C

Vapour pressure:

0 Pa

Any other information on results incl. tables

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

Run 7

Vapor Pressure Data

 

Temperature (ºC)	Temperature (K)	Reciprocal Temperature (K^-1)	Mass Difference (µg)	Mass Difference (kg)	Vapor Pressure (Pa)	Log10Vp
90	363.15	0.002754	25.93	2.593e-08	0.03600	-1.44370
91	364.15	0.002746	27.18	2.718e-08	0.03773	-1.42331
92	365.15	0.002739	28.77	2.877e-08	0.03994	-1.39859
93	366.15	0.002731	30.10	3.010e-08	0.04179	-1.37893
94	367.15	0.002724	33.46	3.346e-08	0.04645	-1.33301
95	368.15	0.002716	36.34	3.634e-08	0.05045	-1.29714
96	369.15	0.002709	38.98	3.898e-08	0.05411	-1.26672
97	370.15	0.002702	42.36	4.236e-08	0.05881	-1.23055
98	371.15	0.002694	47.60	4.760e-08	0.06608	-1.17993
99	372.15	0.002687	51.06	5.106e-08	0.07088	-1.14948
100	373.15	0.002680	55.72	5.572e-08	0.07735	-1.11154

 

A plot of Log₁₀(vapor pressure (Pa)) versus reciprocal temperature (1/T(K)) for Run 7 gives the following statistical data using an unweighted least squares treatment.

 

Slope: Standard error in slope:	-4.63 x 10^3 158
Intercept:	11.3
Standard error in intercept:	0.429

The results obtained indicate the following vapor pressure relationship: Log₁₀(Vp (Pa)) = -4.63 x 10³/temp(K) + 11.3

The above yields a vapor pressure (Pa) at 298.15 K with a common logarithm of -4.25.

Run 8

Vapor Pressure Data

 

Temperature (ºC)	Temperature (K)	Reciprocal Temperature (K^-1)	Mass Difference (µg)	Mass Difference (kg)	Vapor Pressure (Pa)	Log10Vp
90	363.15	0.002754	23.75	2.375e-08	0.03297	-1.48188
91	364.15	0.002746	26.11	2.611e-08	0.03625	-1.44069
92	365.15	0.002739	26.59	2.659e-08	0.03691	-1.43286
93	366.15	0.002731	28.70	2.870e-08	0.03984	-1.39968
94	367.15	0.002724	31.95	3.195e-08	0.04435	-1.35311
95	368.15	0.002716	34.07	3.407e-08	0.04730	-1.32514
96	369.15	0.002709	37.23	3.723e-08	0.05168	-1.28668
97	370.15	0.002702	39.75	3.975e-08	0.05518	-1.25822
98	371.15	0.002694	43.95	4.395e-08	0.06101	-1.21460
99	372.15	0.002687	46.89	4.689e-08	0.06510	-1.18642
100	373.15	0.002680	53.66	5.366e-08	0.07449	-1.12790

A plot of Log₁₀(vapor pressure (Pa)) versus reciprocal temperature (1/T(K)) for Run 8 gives the following statistical data using an unweighted least squares treatment.

 

Slope: Standard error in slope:	-4.65 x 10^3 151
Intercept:	11.3
Standard error in intercept:	0.410

The results obtained indicate the following vapor pressure relationship: Log₁₀(Vp (Pa)) = -4.65 x 10³/temp(K) + 11.3

The above yields a vapor pressure (Pa) at 298.15 K with a common logarithm of -4.29.

Run 9

Vapor Pressure Data

 

Temperature (ºC)	Temperature (K)	Reciprocal Temperature (K^-1)	Mass Difference (µg)	Mass Difference (kg)	Vapor Pressure (Pa)	Log10Vp
90	363.15	0.002754	23.04	2.304e-08	0.03199	-1.49499
91	364.15	0.002746	23.30	2.330e-08	0.03235	-1.49013
92	365.15	0.002739	25.48	2.548e-08	0.03537	-1.45136
93	366.15	0.002731	26.61	2.661e-08	0.03694	-1.43250
94	367.15	0.002724	29.32	2.932e-08	0.04070	-1.39041
95	368.15	0.002716	32.32	3.232e-08	0.04487	-1.34804
96	369.15	0.002709	36.55	3.655e-08	0.05074	-1.29465
97	370.15	0.002702	38.13	3.813e-08	0.05293	-1.27630
98	371.15	0.002694	41.83	4.183e-08	0.05807	-1.23605
99	372.15	0.002687	47.00	4.700e-08	0.06525	-1.18542
100	373.15	0.002680	50.9	5.090e-08	0.07066	-1.15083

 

A plot of Log₁₀(vapor pressure (Pa)) versus reciprocal temperature (1/T(K)) for Run 9 gives the following statistical data using an unweighted least squares treatment.

 

Slope: Standard error in slope:	-4.90 x 10^3 191
Intercept:	12.0
Standard error in intercept:	0.520

The results obtained indicate the following vapor pressure relationship: Log₁₀(Vp (Pa)) = -4.90 x 10³/temp(K) + 12.0

The above yields a vapor pressure (Pa) at 298.15 K with a common logarithm of -4.47.

Run 10

Vapor Pressure Data

 

Temperature (ºC)	Temperature (K)	Reciprocal Temperature (K^-1)	Mass Difference (µg)	Mass Difference (kg)	Vapor Pressure (Pa)	Log10Vp
90	363.15	0.002754	21.90	2.190e-08	0.03040	-1.51713
91	364.15	0.002746	23.07	2.307e-08	0.03203	-1.49444
92	365.15	0.002739	25.33	2.533e-08	0.03516	-1.45395
93	366.15	0.002731	24.68	2.468e-08	0.03426	-1.46521
94	367.15	0.002724	27.74	2.774e-08	0.03851	-1.41443
95	368.15	0.002716	29.17	2.917e-08	0.04050	-1.39254
96	369.15	0.002709	31.86	3.186e-08	0.04423	-1.35428
97	370.15	0.002702	34.93	3.493e-08	0.04849	-1.31435
98	371.15	0.002694	39.72	3.972e-08	0.05514	-1.25853
99	372.15	0.002687	43.11	4.311e-08	0.05985	-1.22294
100	373.15	0.002680	47.64	4.764e-08	0.06614	-1.17954

A plot of Log₁₀(vapor pressure (Pa)) versus reciprocal temperature (1/T(K)) for Run 10 gives the following statistical data using an unweighted least squares treatment.

 

Slope: Standard error in slope:	-4.56 x 10^3 266
Intercept:	11.0
Standard error in intercept:	0.724

The results obtained indicate the following vapor pressure relationship: Log₁₀(Vp (Pa)) = -4.56 x 10³/temp(K) + 11.0

The above yields a vapor pressure (Pa) at 298.15 K with a common logarithm of -4.28.

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

 

Summary of Vapor Pressure Data

Run	Log10[Vp(25 ºC)]
7	-4.25
8	-4.29
9	-4.47
10	-4.28
Mean	-4.32
Vapor Pressure	4.79 x 10^-5Pa

Applicant's summary and conclusion

Conclusions:

The vapor pressure of the test item has been determined to be 4.8 x 10^-5 Pa at 25 ºC.

Executive summary:

The vapor pressure of Phosphonic acid, [2-(4-aminophenyl)-1-hydroxyethylidene]bis-,monosodium salt (“EBP”) has been determined to be 4.8 x 10^-5 Pa 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.