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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)