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CAS Number: 200492-43-9

SMILES : CC=C(C)C(=O)OC1C(C(CC2C1(C(CC3(C2=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C)O)

CO)(C)C)O

CHEM :

MOL FOR: C35 H56 O6

MOL WT : 572.83

------------------------------ EPI SUMMARY (v4.11) --------------------------

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 v1.68 estimate) = 5.84

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

Boiling Pt (deg C): 651.82 (Adapted Stein & Brown method)

Melting Pt (deg C): 283.52 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 2.01E-019 (Modified Grain method)

VP (Pa, 25 deg C) : 2.69E-017 (Modified Grain method)

Subcooled liquid VP: 1.47E-016 mm Hg (25 deg C, Mod-Grain method)

: 1.95E-014 Pa (25 deg C, Mod-Grain method)

Water Solubility Estimate from Log Kow (WSKOW v1.42):

Water Solubility at 25 deg C (mg/L): 0.002501

log Kow used: 5.84 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 5.1389 mg/L

ECOSAR Class Program (ECOSAR v1.11):

Class(es) found:

Methacrylates

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

Bond Method : 2.60E-011 atm-m3/mole (2.63E-006 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: 6.058E-017 atm-m3/mole (6.138E-012 Pa-m3/mole)

VP: 2.01E-019 mm Hg (source: MPBPVP)

WS: 0.0025 mg/L (source: WSKOWWIN)

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

Log Kow used: 5.84 (KowWin est)

Log Kaw used: -8.973 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 14.813

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.1804

Biowin2 (Non-Linear Model) : 0.0010

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 1.4407 (recalcitrant)

Biowin4 (Primary Survey Model) : 2.8474 (weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.6926

Biowin6 (MITI Non-Linear Model): 0.0231

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -1.8675

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): 1.96E-014 Pa (1.47E-016 mm Hg)

Log Koa (Koawin est ): 14.813

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

Mackay model : 1.53E+008

Octanol/air (Koa) model: 160

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 1

Mackay model : 1

Octanol/air (Koa) model: 1

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 178.6349 E-12 cm3/molecule-sec

Half-Life = 0.060 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 0.719 Hrs

Ozone Reaction:

OVERALL Ozone Rate Constant = 14.787499 E-17 cm3/molecule-sec

Half-Life = 0.077 Days (at 7E11 mol/cm3)

Half-Life = 1.860 Hrs

Fraction sorbed to airborne particulates (phi):

1 (Junge-Pankow, Mackay avg)

1 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 3.229E+006 L/kg (MCI method)

Log Koc: 6.509 (MCI method)

Koc : 1849 L/kg (Kow method)

Log Koc: 3.267 (Kow method)

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

Total Kb for pH > 8 at 25 deg C : 4.874E-004 L/mol-sec

Kb Half-Life at pH 8: 45.060 years

Kb Half-Life at pH 7: 450.601 years

(Total Kb applies only to esters, carbmates, alkyl halides)

Bioaccumulation Estimates (BCFBAF v3.01):

Log BCF from regression-based method = 3.519 (BCF = 3303 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 0.6912 days (HL = 4.911 days)

Log BCF Arnot-Gobas method (upper trophic) = 3.225 (BCF = 1677)

Log BAF Arnot-Gobas method (upper trophic) = 3.467 (BAF = 2934)

log Kow used: 5.84 (estimated)

Volatilization from Water:

Henry LC: 2.6E-011 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 5.39E+007 hours (2.246E+006 days)

Half-Life from Model Lake : 5.88E+008 hours (2.45E+007 days)

Removal In Wastewater Treatment:

Total removal: 91.33 percent

Total biodegradation: 0.76 percent

Total sludge adsorption: 90.57 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 0.00353 0.811 1000

Water 0.823 4.32e+003 1000

Soil 40.5 8.64e+003 1000

Sediment 58.6 3.89e+004 0

Persistence Time: 1.06e+004 hr

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