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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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:
Henry's law constant
Type of information:
calculation (if not (Q)SAR)
Remarks:
Migrated phrase: estimated by calculation
Adequacy of study:
key study
Study period:
2012
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Calculation is based on a experimental vapor pressure and experimental water solubility.

Data source

Reference
Reference Type:
other: Calculation based on documented experimental data
Title:
Unnamed
Year:
2012
Report date:
2012

Materials and methods

Test guideline
Qualifier:
according to guideline
Guideline:
other: calculation based on reported experimetntal data
Deviations:
no
Principles of method if other than guideline:
Henry's Law Constant estimated by taking the ratio of vapor pressure to water solubility.
GLP compliance:
no

Test material

Constituent 1
Chemical structure
Reference substance name:
2-methylbutyl acrylate
EC Number:
256-170-3
EC Name:
2-methylbutyl acrylate
Cas Number:
44914-03-6
Molecular formula:
C8H14O2
IUPAC Name:
2-methylbutyl prop-2-enoate

Results and discussion

Henry's Law constant H
H:
0.001 atm m³/mol
Temp.:
23 °C
Atm. press.:
760 mm Hg

Any other information on results incl. tables

Henry's Law constant is estimated as HLC = vapour pressure / water solubility

HLC = [1.6 mmHg * (1 atm / 760 mmHg)] / [316 mg/L * (1000 L/m3) * 10E-3 g / 142.20 FW * ug)]

HLC = 9.50E-04 atm m³/mol

Applicant's summary and conclusion

Conclusions:
The calculated Henry's Law Constant for CAS No. 44914-03-6 at 23 °C is 9.50E-04 atm m³/mol based on available experimental vapor pressure and water solubility.
Executive summary:

The Henry’s Law constant (HLC) for 2-MBA was calculated from experimental water solubility and extrapolated vapor pressure data reported in the key studies for each endpoint. The resulting HLC is 9.50E-04 atm m³/mol at 23 °C (96.3 Pa m³/mol) is considered reliable based on the reliability on the experimental values provided. Based on this value, the test substance is not expected to remain in aqueous solution in open systems.