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CAS Num: 067634-02-0

SMILES : O(C(OCC=C(CCC=C(C)C)C)Cc(cccc1)c1)CC=C(CCC=C(C)C)C

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

MOL FOR: C28 H42 O2

MOL WT : 410.65

------------------------------ 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) = 10.14

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

Boiling Pt (deg C): 460.52 (Adapted Stein & Brown method)

Melting Pt (deg C): 122.72 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 2.87E-008 (Modified Grain method)

VP (Pa, 25 deg C) : 3.83E-006 (Modified Grain method)

Subcooled liquid VP: 2.69E-007 mm Hg (25 deg C, Mod-Grain method)

: 3.59E-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): 5.816e-006

log Kow used: 10.14 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 0.00020651 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 : 1.03E-003 atm-m3/mole (1.05E+002 Pa-m3/mole)

Group Method: 1.09E-005 atm-m3/mole (1.11E+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: 2.666E-003 atm-m3/mole (2.702E+002 Pa-m3/mole)

VP: 2.87E-008 mm Hg (source: MPBPVP)

WS: 5.82E-006 mg/L (source: WSKOWWIN)

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

Log Kow used: 10.14 (KowWin est)

Log Kaw used: -1.376 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 11.516

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.0401

Biowin2 (Non-Linear Model) : 0.0007

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.2215 (months )

Biowin4 (Primary Survey Model) : 3.1722 (weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : -0.2481

Biowin6 (MITI Non-Linear Model): 0.0017

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.8406

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): 3.59E-005 Pa (2.69E-007 mm Hg)

Log Koa (Koawin est ): 11.516

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

Mackay model : 0.0836

Octanol/air (Koa) model: 0.0805

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.751

Mackay model : 0.87

Octanol/air (Koa) model: 0.866

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 379.1335 E-12 cm3/molecule-sec

Half-Life = 0.028 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 20.312 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):

0.811 (Junge-Pankow, Mackay avg)

0.866 (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 : 2.252E+006 L/kg (Kow method)

Log Koc: 6.353 (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 = 2.588 (BCF = 387.1 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 2.4408 days (HL = 275.9 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.402 (BCF = 25.21)

Log BAF Arnot-Gobas method (upper trophic) = 4.952 (BAF = 8.962e+004)

log Kow used: 10.14 (estimated)

Volatilization from Water:

Henry LC: 0.00103 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 3.22 hours

Half-Life from Model Lake : 205 hours (8.543 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 0.00372 0.129 1000

Water 13.3 1.44e+003 1000

Soil 83.3 2.88e+003 1000

Sediment 3.39 1.3e+004 0

Persistence Time: 1.67e+003 hr

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