ε-Caprolactone, oligomers, esters with acrylic acid and 2,2,2',2'-tetrakis (hydroxymethyl)-3,3'-oxydipropan-1-ol

Vapour pressure

Administrative data

Endpoint:

vapour pressure

Type of information:

experimental study

Adequacy of study:

key study

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:

equivalent or similar to guideline

Guideline:

EU Method A.4 (Vapour Pressure)

Version / remarks:

2008

Test guideline 2

Qualifier:

equivalent or similar to guideline

Guideline:

OECD Guideline 104 (Vapour Pressure Curve)

Version / remarks:

2006

GLP compliance:

yes (incl. QA statement)

Remarks:

MHRA

Type of method:

effusion method: vapour pressure balance

Test material

Test material information

Constituent 1

Reference substance name:

ε-Caprolactone, oligomers, esters with acrylic acid and 2,2,2',2'-tetrakis (hydroxymethyl)-3,3'-oxydipropan-1-ol

EC Number:

500-276-7

EC Name:

ε-Caprolactone, oligomers, esters with acrylic acid and 2,2,2',2'-tetrakis (hydroxymethyl)-3,3'-oxydipropan-1-ol

Cas Number:

89800-10-2

Molecular formula:

{(C10H16O7).(C3H3O)b.[(C6H10O2)m.(C3H3O)a]} (i.e., UVCB substance)

IUPAC Name:

ε-Caprolactone, oligomers, esters with acrylic acid and 2,2,2',2'-tetrakis (hydroxymethyl)-3,3'-oxydipropan-1-ol

Test material form:

liquid

Details on test material:

Colorless to light yellow

Results and discussion

Vapour pressure

Key result

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:

Table 1 – Vapor Pressure Data for Run 5

Temperature (ºC)	Temperature (K)	Reciprocal Temperature (K-1)	Mass Difference (μg)	Mass Difference (kg)	Vapor Pressure (Pa)	Log10 Vp
80	353.15	0.0028317	7.94	7.940e-09	0.0110228	-1.957710
81	354.15	0.0028237	9.59	9.590e-09	0.0133134	-1.875712
82	355.15	0.0028157	10.05	1.005e-08	0.0139520	-1.855364
83	356.15	0.0028078	10.65	1.065e-08	0.0147849	-1.830181
84	357.15	0.0027999	11.25	1.125e-08	0.0156179	-1.806378
85	358.15	0.0027921	11.75	1.175e-08	0.0163120	-1.787493
86	359.15	0.0027844	11.62	1.162e-08	0.0161315	-1.792324
87	360.15	0.0027766	12.70	1.270e-08	0.0176309	-1.753727
88	361.15	0.0027689	13.22	1.322e-08	0.0183528	-1.736299
89	362.15	0.0027613	13.54	1.354e-08	0.0187970	-1.725912
90	363.15	0.0027537	14.40	1.440e-08	0.0199909	-1.699168

 

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:	-2.82 x 10^3
Standard error in slope:	240
Intercept:	6.07
Standard error in intercept:	0.669

 

The results obtained indicate the following vapor pressure relationship:

Log₁₀(Vp (Pa)) = -2.82 x 10³/ temp (K) + 6.07

The above yields a vapor pressure (Pa) at 298.15 K with a common logarithm of -3.39.

Table 2 – Vapor Pressure Data for Run 6

Temperature (ºC)	Temperature (K)	Reciprocal Temperature (K-1)	Mass Difference (μg)	Mass Difference (kg)	Vapor Pressure (Pa)	Log10 Vp
80	353.15	0.0028317	7.30	7.300e-09	0.0101343	-1.994208
81	354.15	0.0028237	7.74	7.740e-09	0.0107451	-1.968789
82	355.15	0.0028157	8.12	8.120e-09	0.0112726	-1.947974
83	356.15	0.0028078	6.61	6.610e-09	0.0091764	-2.037329
84	357.15	0.0027999	8.63	8.630e-09	0.0119807	-1.921520
85	358.15	0.0027921	9.05	9.050e-09	0.0125637	-1.900882
86	359.15	0.0027844	9.84	9.840e-09	0.0136604	-1.864535
87	360.15	0.0027766	10.14	1.014e-08	0.0140769	-1.851492
88	361.15	0.0027689	10.32	1.032e-08	0.0143268	-1.843851
89	362.15	0.0027613	11.05	1.105e-08	0.0153402	-1.814168
90	363.15	0.0027537	11.15	1.115e-08	0.0154791	-1.810256

 

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:	-2.66 x 10^3
Standard error in slope:	407
Intercept:	5.51
Standard error in intercept:	1.14

 

The results obtained indicate the following vapor pressure relationship:

Log₁₀(Vp (Pa)) = -2.66 x 10³/ temp (K) + 5.51

The above yields a vapor pressure (Pa) at 298.15 K with a common logarithm of -3.40.

Table 3 – Vapor Pressure Data for Run 7 

Temperature (ºC)	Temperature (K)	Reciprocal Temperature (K-1)	Mass Difference (μg)	Mass Difference (kg)	Vapor Pressure (Pa)	Log10 Vp
80	353.15	0.0028317	6.38	6.380e-09	0.0088571	-2.052710
81	354.15	0.0028237	6.47	6.470e-09	0.0089820	-2.046626
82	355.15	0.0028157	7.13	7.130e-09	0.0098983	-2.004441
83	356.15	0.0028078	6.20	6.200e-09	0.0086072	-2.065139
84	357.15	0.0027999	7.81	7.810e-09	0.0108423	-1.964879
85	358.15	0.0027921	8.15	8.150e-09	0.0113143	-1.946373
86	359.15	0.0027844	8.86	8.860e-09	0.012300	-1.910097
87	360.15	0.0027766	9.49	9.490e-08	0.0131746	-1.880264
88	361.15	0.0027689	9.35	9.350e-08	0.0129802	-1.886719
89	362.15	0.0027613	9.77	9.770e-08	0.0135633	-1.867636
90	363.15	0.0027537	10.81	1.081e-08	0.0150071	-1.823705

 

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:	-3.08 x 10^3
Standard error in slope:	323
Intercept:	6.64
Standard error in intercept:	0.902

 

The results obtained indicate the following vapor pressure relationship:

Log₁₀(Vp (Pa)) = -3.08 x 10³/ temp (K) + 6.64

The above yields a vapor pressure (Pa) at 298.15 K with a common logarithm of -3.68.

Table 4 – Vapor Pressure Data for Run 8

Temperature (ºC)	Temperature (K)	ReciprocalTemperature (K-1)	Mass Difference (μg)	Mass Difference (kg)	VaporPressure (Pa)	Log10Vp
80	353.15	0.0028317	6.11	6.110e-09	0.0084822	-2.071489
81	354.15	0.0028237	6.38	6.380e-09	0.0088571	-2.052710
82	355.15	0.0028157	7.22	7.220e-09	0.0100232	-1.998993
83	356.15	0.0028078	6.58	6.580e-09	0.0091347	-2.039304
84	357.15	0.0027999	7.47	7.470e-09	0.0103703	-1.984210
85	358.15	0.0027921	7.99	7.990e-09	0.0110922	-1.954984
86	359.15	0.0027844	8.06	8.060e-09	0.0111893	-1.951195
87	360.15	0.0027766	8.13	8.130e-09	0.0112865	-1.947440
88	361.15	0.0027689	8.94	8.940e-09	0.0124110	-1.906193
89	362.15	0.0027613	9.52	9.520e-09	0.0132162	-1.878893

 

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:	-2.57 x 10^3
Standard error in slope:	250
Intercept:	5.19
Standard error in intercept:	0.699

 

The results obtained indicate the following vapor pressure relationship:

Log₁₀(Vp (Pa)) = -2.57 x 10³/ temp (K) + 5.19

The above yields a vapor pressure (Pa) at 298.15 K with a common logarithm of -3.41.

 

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

Table5 - Summary of Vapor Pressure Data

Run	Log10 [Vp(25 ºC)]
5	-3.39
6	-3.40
7	-3.68
8	-3.41
Mean	-3.47
Vapor Pressure	3.41 x 10^-4Pa

 

Discussion

A total of 8 runs were completed for the main sequence. Equilibrium with regard to vapor pressure was assessed to have been reached over the final 4 runs. Thus, the final 4 runs were used to calculate the definitive vapor pressure value for the test item. 

The test item changed to a clear colorless solid mass under the conditions used in the determination.

The nature of the test item makes this unavoidable due to the potential removal of an inhibitor. Readings were taken at the lowest possible temperature that allowed multiple runs to display equilibrium prior to the sample fully solidifying.

The results may represent rounded values obtained by calculations based on the exact raw data.

 

Conclusion

The vapor pressure of the test item has been determined to be 3.4 x 10^-4 Pa at 25 ºC.