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Diss Factsheets
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EC number: 221-657-1 | CAS number: 3179-47-3
- Life Cycle description
- Uses advised against
- Endpoint summary
- Appearance / physical state / colour
- Melting point / freezing point
- Boiling point
- Density
- Particle size distribution (Granulometry)
- Vapour pressure
- Partition coefficient
- Water solubility
- Solubility in organic solvents / fat solubility
- Surface tension
- Flash point
- Auto flammability
- Flammability
- Explosiveness
- Oxidising properties
- Oxidation reduction potential
- Stability in organic solvents and identity of relevant degradation products
- Storage stability and reactivity towards container material
- Stability: thermal, sunlight, metals
- pH
- Dissociation constant
- Viscosity
- Additional physico-chemical information
- Additional physico-chemical properties of nanomaterials
- Nanomaterial agglomeration / aggregation
- Nanomaterial crystalline phase
- Nanomaterial crystallite and grain size
- Nanomaterial aspect ratio / shape
- Nanomaterial specific surface area
- Nanomaterial Zeta potential
- Nanomaterial surface chemistry
- Nanomaterial dustiness
- Nanomaterial porosity
- Nanomaterial pour density
- Nanomaterial photocatalytic activity
- Nanomaterial radical formation potential
- Nanomaterial catalytic activity
- Endpoint summary
- Stability
- Biodegradation
- Bioaccumulation
- Transport and distribution
- Environmental data
- Additional information on environmental fate and behaviour
- Ecotoxicological Summary
- Aquatic toxicity
- Endpoint summary
- Short-term toxicity to fish
- Long-term toxicity to fish
- Short-term toxicity to aquatic invertebrates
- Long-term toxicity to aquatic invertebrates
- Toxicity to aquatic algae and cyanobacteria
- Toxicity to aquatic plants other than algae
- Toxicity to microorganisms
- Endocrine disrupter testing in aquatic vertebrates – in vivo
- Toxicity to other aquatic organisms
- Sediment toxicity
- Terrestrial toxicity
- Biological effects monitoring
- Biotransformation and kinetics
- Additional ecotoxological information
- Toxicological Summary
- Toxicokinetics, metabolism and distribution
- Acute Toxicity
- Irritation / corrosion
- Sensitisation
- Repeated dose toxicity
- Genetic toxicity
- Carcinogenicity
- Toxicity to reproduction
- Specific investigations
- Exposure related observations in humans
- Toxic effects on livestock and pets
- Additional toxicological data
![](https://echa.europa.eu/o/diss-blank-theme/images/factsheets/A-REACH/factsheet/print_environmental-fate-and-pathways.png)
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: Based on an acceptable computer model. Accepted calculation method.
Data source
Reference
- Reference Type:
- other company data
- Title:
- Unnamed
- Year:
- 2 012
Materials and methods
- Principles of method if other than guideline:
- Calculation using EpWin v4.10 HenryWin v3.20.
- GLP compliance:
- no
Test material
- Reference substance name:
- Decyl methacrylate
- EC Number:
- 221-657-1
- EC Name:
- Decyl methacrylate
- Cas Number:
- 3179-47-3
- Molecular formula:
- C14H26O2
- IUPAC Name:
- decyl 2-methylprop-2-enoate
- Test material form:
- liquid
Constituent 1
Results and discussion
Henry's Law constant H
- H:
- 0.002 atm m³/mol
- Temp.:
- 25 °C
- Atm. press.:
- 1 013 hPa
- Remarks on result:
- other: (standard atmospheric pressure assumed); Calculation with HENRYWIN v3.20: Bond method
Any other information on results incl. tables
HENRYWIN (v3.20) Program Results:
=============================
Bond Est : 1.86E-003 atm-m3/mole (1.88E+002 Pa-m3/mole)
Group Est: 6.29E-003 atm-m3/mole (6.37E+002 Pa-m3/mole)
SMILES : O=C(OCCCCCCCCCC)C(=C)C
CHEM : 2-Propenoic acid, 2-methyl-, decyl ester
MOL FOR: C14 H26 O2
MOL WT : 226.36
--------------------------- HENRYWIN v3.20 Results --------------------------
----------+---------------------------------------------+---------+----------
CLASS | BOND CONTRIBUTION DESCRIPTION | COMMENT | VALUE
----------+---------------------------------------------+---------+----------
HYDROGEN | 24 Hydrogen to Carbon (aliphatic) Bonds | | -2.8722
HYDROGEN | 2 Hydrogen to Carbon (olefinic) Bonds | | -0.2010
FRAGMENT | 9 C-C | | 1.0467
FRAGMENT | 1 C-Cd | | 0.0635
FRAGMENT | 1 C-O | | 1.0855
FRAGMENT | 1 Cd-CO | | 1.9260
FRAGMENT | 1 CO-O | | 0.0714
FRAGMENT | 1 Cd=Cd | | 0.0000
----------+---------------------------------------------+---------+----------
RESULT | BOND ESTIMATION METHOD for LWAPC VALUE | TOTAL | 1.120
----------+---------------------------------------------+---------+----------
HENRYs LAW CONSTANT at 25 deg C = 1.86E-003 atm-m3/mole
= 7.59E-002 unitless
= 1.88E+002 Pa-m3/mole
--------+-----------------------------------------------+------------+--------
| GROUP CONTRIBUTION DESCRIPTION | COMMENT | VALUE
--------+-----------------------------------------------+------------+--------
| 1 Cd (C)(CO) | ESTIMATE | 0.10
| 2 CH3 (X) | | -1.24
| 8 CH2 (C)(C) | | -1.20
| 1 CH2 (C)(O) | | -0.13
| 1 Cd-H2 | | -0.41
| 1 O (C)(CO) | | -0.53
| 1 CO (Cd)(O) | ESTIMATE | 4.00
--------+-----------------------------------------------+------------+--------
RESULT | GROUP ESTIMATION METHOD for LOG GAMMA VALUE | TOTAL | 0.59
--------+-----------------------------------------------+------------+--------
HENRYs LAW CONSTANT at 25 deg C = 6.29E-003 atm-m3/mole
= 2.57E-001 unitless
= 6.37E+002 Pa-m3/mole
For Henry LC Comparison Purposes:
Exper Database: none available
User-Entered Henry LC: not entered
Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:
HLC: 4.639E-003 atm-m3/mole (4.701E+002 Pa-m3/mole)
VP: 0.00679 mm Hg (source: MPBPVP)
WS: 0.436 mg/L (source: WSKOWWIN)
Applicant's summary and conclusion
- Conclusions:
- n-Decyl methacrylate has a HENRYs LAW CONSTANT at 25 deg C = 1.86E-003 atm-m³/mole Bond method (calculated with EPISuite HENRYWIN
v3.20). - Executive summary:
n-Decyl methacrylate has a HENRYs LAW CONSTANT at 25 deg C = 1.86E-003 atm-m³/mole Bond method (calculated with EPISuite HENRYWIN v3.20).
NOTE: Any of data in this dataset are disseminated by the European Union on a right-to-know basis and this is not a publication in the same sense as a book or an article in a journal. The right of ownership in any part of this information is reserved by the data owner(s). The use of this information for any other, e.g. commercial purpose is strictly reserved to the data owners and those persons or legal entities having paid the respective access fee for the intended purpose.
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.
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