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CAS Number: 90498-90-1

SMILES : Cc1cc(cc(c1O)C(C)(C)C)CCC(=O)OCC(C)(C)C2OCC3(CO2)COC(OC3)C(C)(C)COC(=

O)CCc4cc(c(c(c4)C)O)C(C)(C)C

CHEM :

MOL FOR: C43 H64 O10

MOL WT : 740.98

------------------------------ 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) = 10.42

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

Boiling Pt (deg C): 747.95 (Adapted Stein & Brown method)

Melting Pt (deg C): 328.42 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 6.03E-021 (Modified Grain method)

VP (Pa, 25 deg C) : 8.05E-019 (Modified Grain method)

Subcooled liquid VP: 1.63E-017 mm Hg (25 deg C, Mod-Grain method)

: 2.18E-015 Pa (25 deg C, Mod-Grain method)

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

Water Solubility at 25 deg C (mg/L): 9.044e-008

log Kow used: 10.42 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 3.118e-005 mg/L

ECOSAR Class Program (ECOSAR v1.11):

Class(es) found:

Esters

Phenols, Poly

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

Bond Method : 1.31E-022 atm-m3/mole (1.33E-017 Pa-m3/mole)

Group Method: 3.01E-026 atm-m3/mole (3.05E-021 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: 6.501E-014 atm-m3/mole (6.587E-009 Pa-m3/mole)

VP: 6.03E-021 mm Hg (source: MPBPVP)

WS: 9.04E-008 mg/L (source: WSKOWWIN)

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

Log Kow used: 10.42 (KowWin est)

Log Kaw used: -20.271 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 30.691

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : -1.1156

Biowin2 (Non-Linear Model) : 0.0000

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 0.5602 (recalcitrant)

Biowin4 (Primary Survey Model) : 2.2357 (months )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : -0.0224

Biowin6 (MITI Non-Linear Model): 0.0003

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -3.8207

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): 2.17E-015 Pa (1.63E-017 mm Hg)

Log Koa (Koawin est ): 30.691

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

Mackay model : 1.38E+009

Octanol/air (Koa) model: 1.21E+018

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 = 92.7772 E-12 cm3/molecule-sec

Half-Life = 0.115 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 1.383 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Reaction With Nitrate Radicals May Be Important!

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 : 1.141E+007 L/kg (MCI method)

Log Koc: 7.057 (MCI method)

Koc : 3.379E+006 L/kg (Kow method)

Log Koc: 6.529 (Kow method)

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

Total Kb for pH > 8 at 25 deg C : 5.320E-002 L/mol-sec

Kb Half-Life at pH 8: 150.783 days

Kb Half-Life at pH 7: 4.128 years

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

Bioaccumulation Estimates (BCFBAF v3.01):

Log BCF from regression-based method = 2.228 (BCF = 169.1 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.5605 days (HL = 0.2751 days)

Log BCF Arnot-Gobas method (upper trophic) = -0.039 (BCF = 0.914)

Log BAF Arnot-Gobas method (upper trophic) = -0.037 (BAF = 0.9175)

log Kow used: 10.42 (estimated)

Volatilization from Water:

Henry LC: 1.31E-022 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 1.217E+019 hours (5.069E+017 days)

Half-Life from Model Lake : 1.327E+020 hours (5.53E+018 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 3.12e-005 2.77 1000

Water 3.58 4.32e+003 1000

Soil 92.4 8.64e+003 1000

Sediment 3.98 3.89e+004 0

Persistence Time: 8.52e+003 hr

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