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CAS Number: 67785-71-1

SMILES : O(C(OC(C=C)(CCC=C(C)C)C)C(=Cc(cccc1)c1)CCCCC)C(C=C)(CCC=C(C)C)C

CHEM : Benzene, 2- bis (1-ethenyl-1,5-dimethyl-4-hexenyl)oxy methyl -1-hept

enyl -

MOL FOR: C34 H52 O2

MOL WT : 492.79

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

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

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

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

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

Physical Property Inputs:

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

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

Log Octanol-Water Partition Coef (SRC):

Log Kow (KOWWIN v1.67 estimate) = 12.75

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

Boiling Pt (deg C): 504.81 (Adapted Stein & Brown method)

Melting Pt (deg C): 190.48 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 3.82E-010 (Modified Grain method)

VP (Pa, 25 deg C) : 5.09E-008 (Modified Grain method)

Subcooled liquid VP: 2.07E-008 mm Hg (25 deg C, Mod-Grain method)

: 2.76E-006 Pa (25 deg C, Mod-Grain method)

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

Water Solubility at 25 deg C (mg/L): 1.039e-008

log Kow used: 12.75 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 4.9279e-007 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 : 1.42E-003 atm-m3/mole (1.44E+002 Pa-m3/mole)

Group Method: Incomplete

For Henry LC Comparison Purposes:

User-Entered Henry LC: not entered

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

HLC: 2.384E-002 atm-m3/mole (2.416E+003 Pa-m3/mole)

VP: 3.82E-010 mm Hg (source: MPBPVP)

WS: 1.04E-008 mg/L (source: WSKOWWIN)

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

Log Kow used: 12.75 (KowWin est)

Log Kaw used: -1.236 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 13.986

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : -0.3131

Biowin2 (Non-Linear Model) : 0.0000

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 1.9889 (months )

Biowin4 (Primary Survey Model) : 3.0844 (weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : -0.1714

Biowin6 (MITI Non-Linear Model): 0.0011

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -2.1002

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): 2.76E-006 Pa (2.07E-008 mm Hg)

Log Koa (Koawin est ): 13.986

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

Mackay model : 1.09

Octanol/air (Koa) model: 23.8

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.975

Mackay model : 0.989

Octanol/air (Koa) model: 0.999

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 339.3600 E-12 cm3/molecule-sec

Half-Life = 0.032 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 22.693 Min

Ozone Reaction:

OVERALL Ozone Rate Constant = 175.074997 E-17 cm3/molecule-sec

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

Half-Life = 9.426 Min

Reaction With Nitrate Radicals May Be Important!

Fraction sorbed to airborne particulates (phi):

0.982 (Junge-Pankow, Mackay avg)

0.999 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 5.621E+007 L/kg (MCI method)

Log Koc: 7.750 (MCI method)

Koc : 6.256E+007 L/kg (Kow method)

Log Koc: 7.796 (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 = 1.309 (BCF = 20.36 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 3.4159 days (HL = 2605 days)

Log BCF Arnot-Gobas method (upper trophic) = 0.010 (BCF = 1.024)

Log BAF Arnot-Gobas method (upper trophic) = 2.809 (BAF = 644.8)

log Kow used: 12.75 (estimated)

Volatilization from Water:

Henry LC: 0.00142 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 3.181 hours

Half-Life from Model Lake : 220.8 hours (9.201 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 0.00383 0.13 1000

Water 13.9 1.44e+003 1000

Soil 85.9 2.88e+003 1000

Sediment 0.223 1.3e+004 0

Persistence Time: 1.62e+003 hr

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