Registration Dossier
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EC number: 200-865-6 | CAS number: 75-36-5
Henry's Law constant
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
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Internationally accepted method, EPI-Suite, EPA (USA) Acetyl chloride hydrolyses very fast to acetic acid & hydrochloric acid. Therefore, the calculated Henry's Law constant of the latter ought to be taken instead.
Data source
Reference
- Reference Type:
- other: calculation
- Title:
- Unnamed
- Year:
- 2 008
- Report date:
- 2008
Materials and methods
- Principles of method if other than guideline:
- Calculation by EPI-Suite, EPA (USA) v3.20 / HENRYWIN v3.10
Test material
- Reference substance name:
- Acetyl chloride
- EC Number:
- 200-865-6
- EC Name:
- Acetyl chloride
- Cas Number:
- 75-36-5
- Molecular formula:
- C2H3ClO
- IUPAC Name:
- acetyl chloride
- Details on test material:
- Acetyl chloride hydrolyses very fast to acetic acid & hydrochloric acid. Therefore, the calculated Henry's Law constant of the latter ought to be taken instead.
Constituent 1
Results and discussion
Henry's Law constant Hopen allclose all
- H:
- 548 other: x10-9 atm.m3 / mole
- H:
- 294 other: x10-9 atm.m3 / mole
Any other information on results incl. tables
Note: acetylchloride hydrolyses very rapidly which is not accounted for in EPIWIN.
So, acetylchloride, Bond method: 6.65E-04 atm-m3/mole, Group method: Incomplete. were replaced by the values calculated
for acetic acid:
- Bond method: 5.48 E-7 atm.m3 / mole,
- Group method: 2.94 E-7 atm.m3 / mole
Applicant's summary and conclusion
- Conclusions:
- Acetylchloride hydrolyses very rapidly which is not accounted for in EPIWIN.
Therefore, acetylchloride data were replaced by the values calculated for acetic acid:
- Bond method: 5.48 E-7 atm.m3 / mole,
- Group method: 2.94 E-7 atm.m3 / mole - Executive summary:
Acetylchloride hydrolyses very rapidly which is not accounted for in EPIWIN.
Therefore, acetylchloride data were replaced by the values calculated for acetic acid:
- Bond method: 5.48 E-7 atm.m3 / mole,
- Group method: 2.94 E-7 atm.m3 / mole
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