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CAS Num: 067634-04-2


CHEM : Benzene, [2,2-bis[(3,7-dimethyl-6-octenyl)oxy]ethyl]-

MOL FOR: C28 H46 O2

MOL WT : 414.68

------------------------------ 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) = 10.31

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

Boiling Pt (deg C): 445.72 (Adapted Stein & Brown method)

Melting Pt (deg C): 133.28 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 5.14E-008 (Modified Grain method)

VP (Pa, 25 deg C) : 6.85E-006 (Modified Grain method)

Subcooled liquid VP: 6.28E-007 mm Hg (25 deg C, Mod-Grain method)

: 8.37E-005 Pa (25 deg C, Mod-Grain method)

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

Water Solubility at 25 deg C (mg/L): 3.925e-006

log Kow used: 10.31 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 4.431e-005 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 9.58E-004 atm-m3/mole (9.71E+001 Pa-m3/mole)

Group Method: 3.97E-005 atm-m3/mole (4.02E+000 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: 7.145E-003 atm-m3/mole (7.240E+002 Pa-m3/mole)

VP: 5.14E-008 mm Hg (source: MPBPVP)

WS: 3.92E-006 mg/L (source: WSKOWWIN)

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

Log Kow used: 10.31 (KowWin est)

Log Kaw used: -1.407 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 11.717

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.0382

Biowin2 (Non-Linear Model) : 0.0006

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.2126 (months )

Biowin4 (Primary Survey Model) : 3.1663 (weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : -0.2750

Biowin6 (MITI Non-Linear Model): 0.0028

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.9733

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): 8.37E-005 Pa (6.28E-007 mm Hg)

Log Koa (Koawin est ): 11.717

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

Mackay model : 0.0358

Octanol/air (Koa) model: 0.128

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.564

Mackay model : 0.741

Octanol/air (Koa) model: 0.911

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 222.4571 E-12 cm3/molecule-sec

Half-Life = 0.048 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 0.577 Hrs

Ozone Reaction:

OVERALL Ozone Rate Constant = 86.000000 E-17 cm3/molecule-sec

Half-Life = 0.013 Days (at 7E11 mol/cm3)

Half-Life = 19.189 Min

Reaction With Nitrate Radicals May Be Important!

Fraction sorbed to airborne particulates (phi):

0.653 (Junge-Pankow, Mackay avg)

0.911 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 2.208E+006 L/kg (MCI method)

Log Koc: 6.344 (MCI method)

Koc : 2.797E+006 L/kg (Kow method)

Log Koc: 6.447 (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 = 1.908 (BCF = 80.85 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 1.9511 days (HL = 89.35 days)

Log BCF Arnot-Gobas method (upper trophic) = 0.912 (BCF = 8.157)

Log BAF Arnot-Gobas method (upper trophic) = 4.195 (BAF = 1.567e+004)

log Kow used: 10.31 (estimated)

Volatilization from Water:

Henry LC: 0.000958 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 3.323 hours

Half-Life from Model Lake : 207 hours (8.625 days)

Removal In Wastewater Treatment:

Total removal: 94.04 percent

Total biodegradation: 0.78 percent

Total sludge adsorption: 93.26 percent

Total to Air: 0.00 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.00722 0.25 1000

Water 13.5 1.44e+003 1000

Soil 84.2 2.88e+003 1000

Sediment 2.33 1.3e+004 0

Persistence Time: 1.65e+003 hr

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