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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Administrative data

Endpoint:
vapour pressure
Type of information:
calculation (if not (Q)SAR)
Remarks:
Migrated phrase: estimated by calculation
Adequacy of study:
key study
Study period:
2012-05-19
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: According to “Endpoint specific guidance R.7.1.5.3” are SPARC and MPBPWIN recommended as calculation programs for vapour pressure.

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2012

Materials and methods

Principles of method if other than guideline:
According to “Endpoint specific guidance R.7.1.5.3” are SPARC and MPBPWIN recommended as calculation programs for vapour pressure.
Type of method:
other: calculation

Test material

Constituent 1
Chemical structure
Reference substance name:
Propylidynetrimethanol
EC Number:
201-074-9
EC Name:
Propylidynetrimethanol
Cas Number:
77-99-6
Molecular formula:
C6H14O3
IUPAC Name:
2-ethyl-2-(hydroxymethyl)propane-1,3-diol
Constituent 2
Chemical structure
Reference substance name:
2,2'-[methylenebis(oxymethylene)]bis[2-ethylpropane-1,3-diol]
EC Number:
301-304-9
EC Name:
2,2'-[methylenebis(oxymethylene)]bis[2-ethylpropane-1,3-diol]
Cas Number:
93983-16-5
Molecular formula:
C13H28O6
IUPAC Name:
2,2'-[methylenebis(oxymethylene)]bis(2-ethylpropane-1,3-diol)
Constituent 3
Chemical structure
Reference substance name:
2,2'-[oxybis(methylene)]bis[2-ethylpropane-1,3-diol]
EC Number:
245-509-0
EC Name:
2,2'-[oxybis(methylene)]bis[2-ethylpropane-1,3-diol]
Cas Number:
23235-61-2
Molecular formula:
C12H26O5
IUPAC Name:
2,2'-[oxybis(methylene)]bis(2-ethylpropane-1,3-diol)
Test material form:
solid
Details on test material:
Name of test material (as cited in study report): Reaction mass consisting of Trimethylolpropaneformal, Di-trimethylolpropane, Trimethylolpropane
- Substance type: organic
- Physical state: Solid
- Analytical purity: Mixture(GC purity %)
Trimethylolpropaneformal 29 %, Di-trimethylolpropane 28 % , Trimethylolpropane 12 % , Sodium formate 6.9 % , Unknown formal 2.5 %, Other unknowns 9 %
Lot/batch No: 251140-1
- Stability under test conditions: good
- Storage condition of test material: room temperature

Results and discussion

Vapour pressure
Temp.:
25 °C
Vapour pressure:
0.01 Pa
Remarks on result:
other: Calculation method MPBPWIN (v1.43), Modified Grain method

Any other information on results incl. tables

Component

Vapour pressure at 25 °C (Pa)

Trimethylolpropane, TMP

0.01

Di-Trimethylolpropane, Di-TMP

4.7 x 10-7

Trimethylolpropaneformal, TMF

2.3 x 10-8

Applicant's summary and conclusion

Conclusions:
Vapour pressure at 25°C is 0.01 Pa