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EC number: 201-063-9 | CAS number: 77-85-0
Vapour pressure
Administrative data
- Endpoint:
- vapour pressure
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- Experimental phase: 05 July 2016 to 17 August 2016. Report issued: 06 December 2016.
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 016
- Report date:
- 2016
Materials and methods
Test guidelineopen allclose all
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 104 (Vapour Pressure Curve)
- Deviations:
- no
- 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
- Reference substance name:
- Ethylidynetrimethanol
- EC Number:
- 201-063-9
- EC Name:
- Ethylidynetrimethanol
- Cas Number:
- 77-85-0
- Molecular formula:
- C5H12O3
- IUPAC Name:
- 2-(hydroxymethyl)-2-methylpropane-1,3-diol
- Test material form:
- solid: granular
Constituent 1
Results and discussion
Vapour pressure
- Key result
- Temp.:
- ca. 25 °C
- Vapour pressure:
- ca. 0.003 Pa
Transition / decomposition
- Key result
- Transition / decomposition:
- no
Any other information on results incl. tables
A total of 6 runs were completed for the main sequence. Equilibrium with regard to vapour pressure was assessed to have been reached over the final 5 runs. Thus the final 5 runs have been used to calculate the definitive vapour pressure value for the test item. The results may represent rounded-off values obtained by calculations based on the exact raw data.
Recorded temperatures, mass differences and the resulting calculated values of vapour pressure are shown in the following tables:
Run 2
Table 1 – Run 2 Vapour Pressure Data
Temperature (ºC) |
Temperature (K) |
Reciprocal Temperature (K-1 ) |
Mass Difference (µg) |
Mass Difference (kg) |
Vapour Pressure (Pa) |
Log10Vp |
35 |
308.15 |
0.003245173 |
12.03 |
1.203E-08 |
0.016700722 |
-1.777264751 |
36 |
309.15 |
0.003234676 |
13.94 |
1.394E-08 |
0.019352291 |
-1.713267605 |
37 |
310.15 |
0.003224246 |
13.88 |
1.388E-08 |
0.019268996 |
-1.715140913 |
38 |
311.15 |
0.003213884 |
16.18 |
1.618E-08 |
0.022461985 |
-1.648551861 |
39 |
312.15 |
0.003203588 |
18.31 |
1.831E-08 |
0.025418971 |
-1.594842034 |
40 |
313.15 |
0.003193358 |
23.81 |
2.381E-08 |
0.033054380 |
-1.480770983 |
41 |
314.15 |
0.003183193 |
26.43 |
2.643E-08 |
0.036691611 |
-1.435433216 |
42 |
315.15 |
0.003173092 |
31.63 |
3.163E-08 |
0.043910544 |
-1.357431187 |
43 |
316.15 |
0.003163056 |
36.12 |
3.612E-08 |
0.050143814 |
-1.299782637 |
44 |
317.15 |
0.003153082 |
39.54 |
3.954E-08 |
0.054891650 |
-1.260493714 |
45 |
318.15 |
0.003143171 |
49.34 |
4.934E-08 |
0.068496561 |
-1.164331234 |
A plot of Log10 (vapour pressure (Pa)) versus reciprocal temperature (1/T(K)) for Run 2 gives the following statistical data using an unweighted least squares treatment.
Slope: -6.11 x 103
Standard error in slope: 255
Intercept: 18.0
Standard error in intercept: 0.814
The results obtained indicate the following vapour pressure relationship: Log10 (Vp (Pa)) = -6.11 x 103/ temp (K) + 18.0
The above yields a vapour pressure (Pa) at 298.15 K with a common logarithm of -2.48.
Run 3
Table 2 – Run 3 Vapour Pressure Data
Temperature (ºC) |
Temperature (K) |
Reciprocal Temperature (K-1) |
Mass Difference (µg) |
Mass Difference (kg) |
Vapour Pressure (Pa) |
Log10Vp |
35 |
308.15 |
0.003245173 |
11.63 |
1.163E-08 |
0.016145420 |
-1.791950664 |
36 |
309.15 |
0.003234676 |
12.48 |
1.248E-08 |
0.017325437 |
-1.761315793 |
37 |
310.15 |
0.003224246 |
13.99 |
1.399E-08 |
0.019421704 |
-1.711712664 |
38 |
311.15 |
0.003213884 |
16.34 |
1.634E-08 |
0.022684106 |
-1.644278327 |
39 |
312.15 |
0.003203588 |
18.27 |
1.827E-08 |
0.025363441 |
-1.595791831 |
40 |
313.15 |
0.003193358 |
22.51 |
2.251E-08 |
0.031249647 |
-1.505154884 |
41 |
314.15 |
0.003183193 |
24.40 |
2.440E-08 |
0.033873451 |
-1.470140552 |
42 |
315.15 |
0.003173092 |
30.62 |
3.062E-08 |
0.042508405 |
-1.371525192 |
43 |
316.15 |
0.003163056 |
33.51 |
3.351E-08 |
0.046520465 |
-1.332355951 |
44 |
317.15 |
0.003153082 |
38.02 |
3.802E-08 |
0.052781501 |
-1.277518266 |
45 |
318.15 |
0.003143171 |
47.88 |
4.788E-08 |
0.066469707 |
-1.177376237 |
A plot of Log10 (vapour pressure (Pa)) versus reciprocal temperature (1/T(K)) for Run 3 gives the following statistical data using an unweighted least squares treatment.
Slope: -6.07 x 103
Standard error in slope: 187
Intercept: 17.9
Standard error in intercept: 0.599
The results obtained indicate the following vapour pressure relationship: Log10 (Vp (Pa)) = -6.07 x 103/temp (K) + 17.9
The above yields a vapour pressure (Pa) at 298.15 K with a common logarithm of -2.49.
Run 4
Table 3 – Run 4 Vapour Pressure Data
Temperature (ºC) |
Temperature (K) |
Reciprocal Temperature (K-1) |
Mass Difference(µg) |
Mass Difference(kg) |
Vapour Pressure(Pa) |
Log10Vp |
35 |
308.15 |
0.003245173 |
11.99 |
1.199E-08 |
0.016645192 |
-1.778711196 |
36 |
309.15 |
0.003234676 |
12.20 |
1.220E-08 |
0.016936726 |
-1.771170548 |
37 |
310.15 |
0.003224246 |
12.06 |
1.206E-08 |
0.016742370 |
-1.776183071 |
38 |
311.15 |
0.003213884 |
14.74 |
1.474E-08 |
0.020462896 |
-1.689032895 |
39 |
312.15 |
0.003203588 |
16.88 |
1.688E-08 |
0.023433765 |
-1.630157936 |
40 |
313.15 |
0.003193358 |
22.65 |
2.265E-08 |
0.031444003 |
-1.502462172 |
41 |
314.15 |
0.003183193 |
24.59 |
2.459E-08 |
0.034137220 |
-1.466771850 |
42 |
315.15 |
0.003173092 |
29.76 |
2.976E-08 |
0.041314504 |
-1.383897452 |
43 |
316.15 |
0.003163056 |
32.23 |
3.223E-08 |
0.044743497 |
-1.349270073 |
44 |
317.15 |
0.003153082 |
40.02 |
4.002E-08 |
0.055558013 |
-1.255253294 |
45 |
318.15 |
0.003143171 |
44.93 |
4.493E-08 |
0.062374351 |
-1.204993960 |
A plot of Log10 (vapour pressure (Pa)) versus reciprocal temperature (1/T(K)) for Run 4 gives the following statistical data using an unweighted least squares treatment.
Slope: -6.22 x 103
Standard error in slope: 351
Intercept: 18.3
Standard error in intercept: 1.12
The results obtained indicate the following vapor pressure relationship: Log10 (Vp (Pa)) = -6.22 x 103/temp (K) + 18.3
The above yields a vapour pressure (Pa) at 298.15 K with a common logarithm of -2.53.
Run 5
Table 4 – Run 5 Vapour Pressure Data
Temperature (ºC) |
Temperature (K) |
Reciprocal Temperature (K-1) |
Mass Difference(µg) |
Mass Difference(kg) |
Vapour Pressure(Pa) |
Log10Vp |
35 |
308.15 |
0.003245173 |
11.57 |
1.157E-08 |
0.016062124 |
-1.794197020 |
36 |
309.15 |
0.003234676 |
10.78 |
1.078E-08 |
0.014965402 |
-1.824911618 |
37 |
310.15 |
0.003224246 |
13.64 |
1.364E-08 |
0.018935815 |
-1.722716008 |
38 |
311.15 |
0.003213884 |
14.84 |
1.484E-08 |
0.020601722 |
-1.686096478 |
39 |
312.15 |
0.003203588 |
18.39 |
1.839E-08 |
0.025530031 |
-1.592948649 |
40 |
313.15 |
0.003193358 |
20.03 |
2.003E-08 |
0.027806772 |
-1.555849429 |
41 |
314.15 |
0.003183193 |
24.32 |
2.432E-08 |
0.033762391 |
-1.471566808 |
42 |
315.15 |
0.003173092 |
27.18 |
2.718E-08 |
0.037732803 |
-1.423280926 |
43 |
316.15 |
0.003163056 |
32.38 |
3.238E-08 |
0.044951736 |
-1.347253534 |
44 |
317.15 |
0.003153082 |
35.36 |
3.536E-08 |
0.049088739 |
-1.309018122 |
45 |
318.15 |
0.003143171 |
42.23 |
4.223E-08 |
0.058626059 |
-1.231909297 |
A plot of Log10 (vapour pressure (Pa)) versus reciprocal temperature (1/T(K)) for Run 5 gives the following statistical data using an unweighted least squares treatment.
Slope: -5.92 x 103
Standard error in slope: 236
Intercept: 17.4
Standard error in intercept: 0.753
The results obtained indicate the following vapour pressure relationship: Log10 (Vp (Pa)) = -5.92 x 103/temp (K) + 17.4
The above yields a vapour pressure (Pa) at 298.15 K with a common logarithm of -2.49.
Run 6
Table 5 – Run 6 Vapour Pressure Data
Temperature (ºC) |
Temperature (K) |
Reciprocal Temperature (K-1) |
Mass Difference(µg) |
Mass Difference(kg) |
Vapor Pressure(Pa) |
Log10Vp |
35 |
308.15 |
0.003245173 |
10.62 |
1.062E-08 |
0.014743281 |
-1.831405862 |
36 |
309.15 |
0.003234676 |
12.50 |
1.250E-08 |
0.017353202 |
-1.760620366 |
37 |
310.15 |
0.003224246 |
13.35 |
1.335E-08 |
0.018533220 |
-1.732049113 |
38 |
311.15 |
0.003213884 |
15.83 |
1.583E-08 |
0.021976096 |
-1.658049464 |
39 |
312.15 |
0.003203588 |
16.50 |
1.650E-08 |
0.022906227 |
-1.640046435 |
40 |
313.15 |
0.003193358 |
20.20 |
2.020E-08 |
0.028042775 |
-1.552179009 |
41 |
314.15 |
0.003183193 |
24.01 |
2.401E-08 |
0.033332031 |
-1.477138219 |
42 |
315.15 |
0.003173092 |
28.47 |
2.847E-08 |
0.039523654 |
-1.403142912 |
43 |
316.15 |
0.003163056 |
32.79 |
3.279E-08 |
0.045520921 |
-1.341788962 |
44 |
317.15 |
0.003153082 |
37.30 |
3.730E-08 |
0.051781956 |
-1.285821547 |
45 |
318.15 |
0.003143171 |
41.99 |
4.199E-08 |
0.058292878 |
-1.234384504 |
A plot of Log10 (vapour pressure (Pa)) versus reciprocal temperature (1/T(K)) for Run 6 gives the following statistical data using an unweighted least squares treatment.
Slope: -5.99 x 103
Standard error in slope: 180
Intercept: 17.6
Standard error in intercept: 0.575
The results obtained indicate the following vapour pressure relationship: Log10 (Vp (Pa)) = -5.99x 103/temp (K) + 17.6
The above yields a vapour pressure (Pa) at 298.15 K with a common logarithm of -2.50.
Applicant's summary and conclusion
- Conclusions:
- The vapour pressure of the test item has been determined to be 3.2 x 10-3 Pa at 25 °C using the vapour pressure balance method.
- Executive summary:
Introduction
The vapour presure of trimethylolethane was determined 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.
Method
The vapour pressure was determined using a vapour pressure balance. The temperature of the sample was controlled electronically. The mass and temperature readings were recorded automatically into a computer file.
Conclusion
The vapour pressure of the trimethylolethane has been determined to be less than 3.2 x 10-3 Pa at 25 ºC using the vapour pressure balance method.
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