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1H-Pyrazolo[3,4-c]pyridine-3-carboxylic acid, 4,5,6,7-tetrahydro-1-(4-methoxyphenyl)-6-(4-nitrophenyl)-7-oxo-, ethyl ester

EC number: 611-033-0 | CAS number: 536759-91-8

Life Cycle description
Uses advised against

Physical & Chemical properties

Vapour pressure

Currently viewing:

Administrative data

Link to relevant study record(s)

Reference

Endpoint:

vapour pressure

Type of information:

experimental study

Adequacy of study:

key study

Study period:

Experimental Starting Date: 25 April 2014 Experimental Completion Date: 29 April 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.

Qualifier:

according to guideline

Guideline:

EU Method A.4 (Vapour Pressure)

Deviations:

Qualifier:

according to guideline

Guideline:

OECD Guideline 104 (Vapour Pressure Curve)

Deviations:

GLP compliance:

yes

Type of method:

effusion method: vapour pressure balance

Temp.:

25 °C

Vapour pressure:

0 Pa

Transition / decomposition:

Results

Please see the graphs Runs 6-10 - Graph of Log10 Vapour Pressure vs Reciprocal Temperature in Attachment 2 of this Summary.

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

Run 6

Table 3.1– Vapor Pressure Data

Temperature (ºC)	Temperature (K)	Reciprocal Temperature (K^-1)	Mass Difference (µg)	Mass Difference (kg)	Vapor Pressure (Pa)	Log₁₀Vp
170	443.15	0.002256572	14.06	1.406E-08	0.019518882	-1.709545058
171	444.15	0.002251492	13.60	1.360E-08	0.018880284	-1.723991470
172	445.15	0.002246434	13.31	1.331E-08	0.018477690	-1.733352323
173	446.15	0.002241399	14.96	1.496E-08	0.020768313	-1.682598785
174	447.15	0.002236386	15.61	1.561E-08	0.021670679	-1.664127476
175	448.15	0.002231396	17.76	1.776E-08	0.024655430	-1.608087417
176	449.15	0.002226428	19.19	1.919E-08	0.026640636	-1.574455404
177	450.15	0.002221482	20.21	2.021E-08	0.028056658	-1.551964065
178	451.15	0.002216558	20.31	2.031E-08	0.028195483	-1.549820455
179	452.15	0.002211655	21.79	2.179E-08	0.030250103	-1.519273148
180	453.15	0.002206775	24.39	2.439E-08	0.033859569	-1.470318578

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:	-5.32 x 10³
Standard error in slope:	430
Intercept:	10.3
Standard error in intercept:	0.959

The results obtained indicate the following vapor pressure relationship:

Log₁₀(Vp (Pa)) = -5.32 x 10³/temp(K) + 10.3

The above yields a vapor pressure (Pa) at 298.15 K with a common logarithm of -7.59

Run 7

Table 3.2 – Vapor Pressure Data

Temperature (ºC)	Temperature (K)	Reciprocal Temperature (K^-1)	Mass Difference (µg)	Mass Difference (kg)	Vapor Pressure (Pa)	Log₁₀Vp
170	443.15	0.002256572	13.70	1.370E-08	0.019019110	-1.720809812
171	444.15	0.002251492	12.66	1.266E-08	0.017575323	-1.755096673
172	445.15	0.002246434	13.52	1.352E-08	0.018769224	-1.726553687
173	446.15	0.002241399	14.12	1.412E-08	0.019602178	-1.707695682
174	447.15	0.002236386	15.71	1.571E-08	0.021809505	-1.661354194
175	448.15	0.002231396	15.83	1.583E-08	0.021976096	-1.658049464
176	449.15	0.002226428	16.64	1.664E-08	0.023100583	-1.636377057
177	450.15	0.002221482	18.30	1.830E-08	0.025405088	-1.595079289
178	451.15	0.002216558	19.85	1.985E-08	0.027556886	-1.559769868
179	452.15	0.002211655	22.72	2.272E-08	0.031541181	-1.501122052
180	453.15	0.002206775	23.89	2.389E-08	0.033165441	-1.479314229

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:	-5.42 x 10³
Standard error in slope:	490
Intercept:	10.5
Standard error in intercept:	1.09

The results obtained indicate the following vapor pressure relationship:

Log₁₀(Vp (Pa)) = -5.42 x 10^3./temp(K) + 10.5

The above yields a vapor pressure (Pa) at 298.15 K with a common logarithm of -7.72.

Run 8

Table 3.3 – Vapor Pressure Data

Temperature (ºC)	Temperature (K)	Reciprocal Temperature (K^-1)	Mass Difference (µg)	Mass Difference (kg)	Vapor Pressure (Pa)	Log₁₀Vp
170	443.15	0.002256572	12.11	1.211E-08	0.016811783	-1.774386236
171	444.15	0.002251492	11.92	1.192E-08	0.016548014	-1.781254123
172	445.15	0.002246434	12.67	1.267E-08	0.017589206	-1.754753764
173	446.15	0.002241399	13.44	1.344E-08	0.018658163	-1.729131110
174	447.15	0.002236386	13.35	1.335E-08	0.018533220	-1.732049113
175	448.15	0.002231396	15.06	1.506E-08	0.020907138	-1.679705407
176	449.15	0.002226428	16.32	1.632E-08	0.022656341	-1.644810224
177	450.15	0.002221482	16.59	1.659E-08	0.023031170	-1.637683993
178	451.15	0.002216558	17.47	1.747E-08	0.024252836	-1.615237474
179	452.15	0.002211655	21.42	2.142E-08	0.029736448	-1.526710912
180	453.15	0.002206775	20.63	2.063E-08	0.028639725	-1.543031151

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:	-5.22 x 10³
Standard error in slope:	433
Intercept:	9.98
Standard error in intercept:	0.966

The results obtained indicate the following vapor pressure relationship:

Log₁₀(Vp (Pa)) = -5.22 x 10³/temp(K) + 9.98

The above yields a vapor pressure (Pa) at 298.15 K with a common logarithm of -7.54.

Run 9

Table 3.4 – Vapor Pressure Data

Temperature (ºC)	Temperature (K)	Reciprocal Temperature (K^-1)	Mass Difference (µg)	Mass Difference (kg)	Vapor Pressure (Pa)	Log₁₀Vp
170	443.15	0.002256572	9.41	9.410E-09	0.013063491	-1.883940755
171	444.15	0.002251492	10.53	1.053E-08	0.014618338	-1.835102008
172	445.15	0.002246434	11.28	1.128E-08	0.015659530	-1.805221279
173	446.15	0.002241399	11.42	1.142E-08	0.015853886	-1.799864275
174	447.15	0.002236386	11.34	1.134E-08	0.015742825	-1.802917324
175	448.15	0.002231396	12.03	1.203E-08	0.016700722	-1.777264751
176	449.15	0.002226428	12.73	1.273E-08	0.017672501	-1.752701975
177	450.15	0.002221482	13.41	1.341E-08	0.018616516	-1.730101601
178	451.15	0.002216558	14.95	1.495E-08	0.020754430	-1.682889186
179	452.15	0.002211655	15.01	1.501E-08	0.020837726	-1.681149686
180	453.15	0.002206775	19.28	1.928E-08	0.026765580	-1.572423349

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:	-4.98 x 10³
Standard error in slope:	547
Intercept:	9.35
Standard error in intercept:	1.22

The results obtained indicate the following vapor pressure relationship:

Log₁₀(Vp (Pa)) = -4.98 x 10³/temp(K) + 9.35

The above yields a vapor pressure (Pa) at 298.15 K with a common logarithm of -7.34.

Run 10

Table 3.5 – Vapor Pressure Data

Temperature (ºC)	Temperature (K)	Reciprocal Temperature (K^-1)	Mass Difference (µg)	Mass Difference (kg)	Vapor Pressure (Pa)	Log₁₀Vp
170	443.15	0.002256572	9.60	9.600E-09	0.013327260	-1.875259146
171	444.15	0.002251492	9.70	9.700E-09	0.013466085	-1.870758644
172	445.15	0.002246434	10.59	1.059E-08	0.014701633	-1.832634419
173	446.15	0.002241399	10.43	1.043E-08	0.014479512	-1.839246070
174	447.15	0.002236386	11.36	1.136E-08	0.015770590	-1.802152047
175	448.15	0.002231396	12.37	1.237E-08	0.017172729	-1.765160679
176	449.15	0.002226428	13.20	1.320E-08	0.018324982	-1.736956448
177	450.15	0.002221482	13.91	1.391E-08	0.019310644	-1.714203249
178	451.15	0.002216558	15.12	1.512E-08	0.020990434	-1.677978588
179	452.15	0.002211655	15.23	1.523E-08	0.021143142	-1.674830475
180	453.15	0.002206775	17.82	1.782E-08	0.024738725	-1.606622679

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:	-5.30 x 10³
Standard error in slope:	303
Intercept:	10.1
Standard error in intercept:	0.676

The results obtained indicate the following vapor pressure relationship:

Log₁₀(Vp (Pa)) = -5.30 x 10³/temp(K) + 10.1

The above yields a vapor pressure (Pa) at 298.15 K with a common logarithm of -7.71.

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(25ºC)]
6	-7.59
7	-7.72
8	-7.54
9	-7.34
10	-7.71
Mean	-7.58
Vapor Pressure	2.62 x 10^-8Pa

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 2.6 x 10-8Pa 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 and Method 104 of the OECD Guidelines for Testing of Chemicals, 23 March 2006.

Instrument: Vapor pressure balance.

Conclusion

The vapor pressure of the test item has been determined to be 2.6 x 10^-8Pa at 25 ºC.

Description of key information

Key value for chemical safety assessment

Vapour pressure:: 0 Pa
at the temperature of:: 25 °C

Additional information

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