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CAS Number: 259748-74-8

SMILES : CC=C(C)C(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)C

)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(CO7)O)O)OC8C(C(C(CO8)O)O)O)OC9C(C(C(

C(O9)CO)O)O)O)C)COC(=O)C)O

CHEM :

MOL FOR: C59 H92 O26

MOL WT : 1217.38

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

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

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

Physical Property Inputs:

------------------------------ EPI SUMMARY (v3.20) --------------------------

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

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

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

Log Octanol-Water Partition Coef (SRC):

Log Kow (KOWWIN v1.68 estimate) = -0.63

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

Boiling Pt (deg C): 1408.91 (Adapted Stein & Brown method)

Melting Pt (deg C): 349.84 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0 (Modified Grain method)

VP (Pa, 25 deg C) : 0 (Modified Grain method)

Subcooled liquid VP: 1.68E-044 mm Hg (25 deg C, Mod-Grain method)

: 2.24E-042 Pa (25 deg C, Mod-Grain method)

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

Water Solubility at 25 deg C (mg/L): 0.08947

log Kow used: -0.63 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 1e+006 mg/L

ECOSAR Class Program (ECOSAR v1.11):

Class(es) found:

Esters-acid

Methacrylates-acid

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

Bond Method : 2.80E-045 atm-m3/mole (2.84E-040 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]:

not available

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

Log Kow used: -0.63 (KowWin est)

Log Kaw used: -42.940 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 42.310

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : -1.3887

Biowin2 (Non-Linear Model) : 0.0000

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 1.7315 (recalcitrant)

Biowin4 (Primary Survey Model) : 3.4897 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.9142

Biowin6 (MITI Non-Linear Model): 0.0000

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -2.0883

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): 2.24E-042 Pa (1.68E-044 mm Hg)

Log Koa (Koawin est ): 42.310

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

Mackay model : 1.34E+036

Octanol/air (Koa) model: 5.01E+029

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 = 269.1164 E-12 cm3/molecule-sec

Half-Life = 0.040 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 28.616 Min

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 : 2.074E+008 L/kg (MCI method)

Log Koc: 8.317 (MCI method)

Koc : 0.01656 L/kg (Kow method)

Log Koc: -1.781 (Kow method)

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

Total Kb for pH > 8 at 25 deg C : 4.045E-002 L/mol-sec

Kb Half-Life at pH 8: 198.298 days

Kb Half-Life at pH 7: 5.429 years

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

Bioaccumulation Estimates (BCFBAF v3.01):

Log BCF from regression-based method = 0.500 (BCF = 3.162 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -3.1799 days (HL = 0.0006609 days)

Log BCF Arnot-Gobas method (upper trophic) = -0.047 (BCF = 0.8975)

Log BAF Arnot-Gobas method (upper trophic) = -0.047 (BAF = 0.8975)

log Kow used: -0.63 (estimated)

Volatilization from Water:

Henry LC: 2.8E-045 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 7.296E+041 hours (3.04E+040 days)

Half-Life from Model Lake : 7.959E+042 hours (3.316E+041 days)

Removal In Wastewater Treatment:

Total removal: 1.85 percent

Total biodegradation: 0.09 percent

Total sludge adsorption: 1.76 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 1.39e-033 0.63 1000

Water 0.549 4.32e+003 1000

Soil 52.1 8.64e+003 1000

Sediment 47.3 3.89e+004 0

Persistence Time: 1.51e+004 hr

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