Registration Dossier

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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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:
other distribution data
Type of information:
calculation (if not (Q)SAR)
Remarks:
Migrated phrase: estimated by calculation
Adequacy of study:
key study
Study period:
2001
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: estimated according to EC Directive 92/69/EEC and Regulation EC/440/2008 guideline methods. US EPA (2007) Estimation Program Interface (EPI) Suite version 3.05. United States Environmental Protection

Data source

Reference
Reference Type:
other company data
Title:
Unnamed
Year:
2001

Materials and methods

Test guideline
Qualifier:
according to guideline
Guideline:
other: EPIWIN V3.05 LEV3EPI Fugacity Model
Principles of method if other than guideline:
Method: other
GLP compliance:
not specified
Type of study:
volatility

Test material

Constituent 1
Chemical structure
Reference substance name:
2,4,7,9-tetramethyldec-5-yne-4,7-diol
EC Number:
204-809-1
EC Name:
2,4,7,9-tetramethyldec-5-yne-4,7-diol
Cas Number:
126-86-3
Molecular formula:
C14 H26 O2
IUPAC Name:
2,4,7,9-tetramethyldec-5-yne-4,7-diol

Results and discussion

Any other information on results incl. tables

RS-Freetext:
Level III Fugacity Model (Full-Output):
==============================================  
Chem Name: 5-Decyne-4,7-diol, 2,4,7,9-tetramethyl-
Molecular Wt: 226.36  
Henry's LC: 8.58e-007 atm-m3/mole (calc VP/Wsol)
Vapor Press: 0.0049 mm Hg (user-entered)
Liquid VP: 0.00959 mm Hg (super-cooled)
Melting Pt.: 54.5 deg C (user-entered)
Log Kow: 2.8 (user-entered)
Soil Koc: 259 (calc by model)
              Concentration    Half-Life    Emissions       
                (percent)          (hr)        (kg/hr)
Air             0.425             6.04         1000
Water          31.8               900          1000
Soil           67.4               900          1000
Sediment        0.383           3.6e+003          0

    Fugacity     Reaction    Advection   Reaction  
Advection
    (atm)        (kg/hr)     (kg/hr)     (percent) 
(percent)
Air 8.53e-012      907         79.1       30.2         2.64
Water 1.12e-011    456         592        15.2        19.7
Soil 4.05e-011     964          0         32.1         0
Sediment 9.37e-012 1.37        0.142      0.0457     0.00475

Persistence Time: 620 hr
Reaction Time: 798 hr
Advection Time: 2.77e+003 hr
Percent Reacted: 77.6
Percent Advected: 22.4
Half-Lives (hr), (based upon Biowin (Ultimate) and Aopwin):
Air: 6.039 
Water: 900
Soil: 900
Sediment: 3600
Biowin estimate: 2.275 (weeks-months)

Advection Times (hr):
Air: 100
Water: 1000
Sediment: 5e+004

Applicant's summary and conclusion

Conclusions:
Soil Koc: 259 (calc by model)