Registration Dossier
Registration Dossier
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EC number: 224-709-1 | CAS number: 4457-71-0
Henry's Law constant
Administrative data
- Endpoint:
- Henry's law constant
- Type of information:
- (Q)SAR
- Adequacy of study:
- supporting study
- Study period:
- 2011
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: from EPIWIN HENRYWIN v3.10
- Justification for type of information:
- QSAR prediction
Data source
Reference
- Reference Type:
- secondary source
- Title:
- EPIWIN Henrywin v3.10 Calculated in "Chemspider Database"
- Author:
- ERM
- Year:
- 2 011
- Report date:
- 2011
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- other: QSAR
- Principles of method if other than guideline:
- HENRYWIN v3.10
Test material
- Reference substance name:
- 3-methylpentane-1,5-diol
- EC Number:
- 224-709-1
- EC Name:
- 3-methylpentane-1,5-diol
- Cas Number:
- 4457-71-0
- Molecular formula:
- C6H14O2
- IUPAC Name:
- 3-methylpentane-1,5-diol
Constituent 1
Results and discussion
Henry's Law constant H
- H:
- 0 atm m³/mol
- Temp.:
- 25 °C
- Atm. press.:
- 1 atm
Any other information on results incl. tables
Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
Bond Method : 4.06E-007 atm-m3/mole
Group Method: 2.68E-010 atm-m3/mole
Henrys LC [VP/WSol estimate using EPI values]: 7.190E-008 atm-m3/moleApplicant's summary and conclusion
- Conclusions:
- Henrys Law Constant at 25 deg C was obtained with HENRYWIN v3.10:
using the Bond Method : 4.06E-007 atm-m3/mole
using the Group Method: 2.68E-010 atm-m3/mole
Henrys LC [VP/WSol estimate using EPI values]: 7.190E-008 atm-m3/mole
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