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CAS Num: 031147-36-1


CHEM : 2,6-Octadiene, 1,1'-oxybis 3,7-dimethyl-, (E,E)-

MOL FOR: C20 H34 O1

MOL WT : 290.49

------------------------------ EPI SUMMARY (v4.00) --------------------------

Physical Property Inputs:

Water Solubility (mg/L): ------

Vapor Pressure (mm Hg) : ------

Henry LC (atm-m3/mole) : ------

Log Kow (octanol-water): ------

Boiling Point (deg C) : ------

Melting Point (deg C) : ------

Log Octanol-Water Partition Coef (SRC):

Log Kow (KOWWIN v1.67 estimate) = 8.27

Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):

Boiling Pt (deg C): 348.10 (Adapted Stein & Brown method)

Melting Pt (deg C): 4.99 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.000304 (Modified Grain method)

VP (Pa, 25 deg C) : 0.0405 (Modified Grain method)

Water Solubility Estimate from Log Kow (WSKOW v1.41):

Water Solubility at 25 deg C (mg/L): 0.001203

log Kow used: 8.27 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 0.083252 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Vinyl/Allyl Ethers

Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:

Bond Method : 1.64E-001 atm-m3/mole (1.66E+004 Pa-m3/mole)

Group Method: 4.77E-003 atm-m3/mole (4.83E+002 Pa-m3/mole)

For Henry LC Comparison Purposes:

User-Entered Henry LC: not entered

Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:

HLC: 9.659E-002 atm-m3/mole (9.787E+003 Pa-m3/mole)

VP: 0.000304 mm Hg (source: MPBPVP)

WS: 0.0012 mg/L (source: WSKOWWIN)

Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:

Log Kow used: 8.27 (KowWin est)

Log Kaw used: 0.826 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 7.444

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.2619

Biowin2 (Non-Linear Model) : 0.0105

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.5485 (weeks-months)

Biowin4 (Primary Survey Model) : 3.4189 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.1731

Biowin6 (MITI Non-Linear Model): 0.0407

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.0368

Ready Biodegradability Prediction: NO

Hydrocarbon Biodegradation (BioHCwin v1.01):

Structure incompatible with current estimation method!

Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:

Vapor pressure (liquid/subcooled): 0.0405 Pa (0.000304 mm Hg)

Log Koa (Koawin est ): 7.444

Kp (particle/gas partition coef. (m3/ug)):

Mackay model : 7.4E-005

Octanol/air (Koa) model: 6.82E-006

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.00267

Mackay model : 0.00589

Octanol/air (Koa) model: 0.000546

Atmospheric Oxidation (25 deg C) [AopWin v1.92]:

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 364.4061 E-12 cm3/molecule-sec

Half-Life = 0.029 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 21.133 Min

Ozone Reaction:

OVERALL Ozone Rate Constant = 172.000000 E-17 cm3/molecule-sec

Half-Life = 0.007 Days (at 7E11 mol/cm3)

Half-Life = 9.594 Min

Reaction With Nitrate Radicals May Be Important!

Fraction sorbed to airborne particulates (phi):

0.00428 (Junge-Pankow, Mackay avg)

0.000546 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 7.873E+004 L/kg (MCI method)

Log Koc: 4.896 (MCI method)

Koc : 2.564E+005 L/kg (Kow method)

Log Koc: 5.409 (Kow method)

Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:

Rate constants can NOT be estimated for this structure!

Bioaccumulation Estimates (BCFBAF v3.00):

Log BCF from regression-based method = 3.501 (BCF = 3169 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 2.2481 days (HL = 177.1 days)

Log BCF Arnot-Gobas method (upper trophic) = 3.021 (BCF = 1049)

Log BAF Arnot-Gobas method (upper trophic) = 6.435 (BAF = 2.723e+006)

log Kow used: 8.27 (estimated)

Volatilization from Water:

Henry LC: 0.00477 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 1.948 hours

Half-Life from Model Lake : 164.2 hours (6.84 days)

Removal In Wastewater Treatment:

Total removal: 94.03 percent

Total biodegradation: 0.78 percent

Total sludge adsorption: 93.23 percent

Total to Air: 0.02 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.0066 0.13 1000

Water 15.1 900 1000

Soil 78.1 1.8e+003 1000

Sediment 6.8 8.1e+003 0

Persistence Time: 1.08e+003 hr

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