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CAS Number: 62008-04-2

SMILES : O=C(OC5C1=COC(OC(=O)C)C1C4(C(C2(C(C3(C(CC2)C(C)(C)CCC3)C)CC4O)C)(C)C5

)C)C

CHEM :

MOL FOR: C30 H46 O6

MOL WT : 502.70

------------------------------ EPI SUMMARY (v4.10) --------------------------

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) = 5.02

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

Boiling Pt (deg C): 506.46 (Adapted Stein & Brown method)

Melting Pt (deg C): 215.61 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 1.1E-012 (Modified Grain method)

VP (Pa, 25 deg C) : 1.47E-010 (Modified Grain method)

Subcooled liquid VP: 1.19E-010 mm Hg (25 deg C, Mod-Grain method)

: 1.58E-008 Pa (25 deg C, Mod-Grain method)

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

Water Solubility at 25 deg C (mg/L): 0.1159

log Kow used: 5.02 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 2.4782 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Esters

Vinyl/Allyl Ethers

Vinyl/Allyl Esters

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

Bond Method : 1.87E-011 atm-m3/mole (1.89E-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: 6.278E-012 atm-m3/mole (6.361E-007 Pa-m3/mole)

VP: 1.1E-012 mm Hg (source: MPBPVP)

WS: 0.116 mg/L (source: WSKOWWIN)

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

Log Kow used: 5.02 (KowWin est)

Log Kaw used: -9.117 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 14.137

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : -0.2517

Biowin2 (Non-Linear Model) : 0.0010

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 1.4594 (recalcitrant)

Biowin4 (Primary Survey Model) : 2.9329 (weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.6270

Biowin6 (MITI Non-Linear Model): 0.0415

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -1.9293

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): 1.59E-008 Pa (1.19E-010 mm Hg)

Log Koa (Koawin est ): 14.137

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

Mackay model : 189

Octanol/air (Koa) model: 33.7

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 = 162.1836 E-12 cm3/molecule-sec

Half-Life = 0.066 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 0.791 Hrs

Ozone Reaction:

OVERALL Ozone Rate Constant = 36.968750 E-17 cm3/molecule-sec

Half-Life = 0.031 Days (at 7E11 mol/cm3)

Half-Life = 44.639 Min

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 : 3.006E+004 L/kg (MCI method)

Log Koc: 4.478 (MCI method)

Koc : 1171 L/kg (Kow method)

Log Koc: 3.069 (Kow method)

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

Total Kb for pH > 8 at 25 deg C : 5.611E-003 L/mol-sec

Kb Half-Life at pH 8: 3.914 years

Kb Half-Life at pH 7: 39.144 years

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

Bioaccumulation Estimates (BCFBAF v3.01):

Log BCF from regression-based method = 2.976 (BCF = 947 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.0631 days (HL = 0.8648 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.541 (BCF = 347.2)

Log BAF Arnot-Gobas method (upper trophic) = 2.542 (BAF = 348.6)

log Kow used: 5.02 (estimated)

Volatilization from Water:

Henry LC: 1.87E-011 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 7.02E+007 hours (2.925E+006 days)

Half-Life from Model Lake : 7.658E+008 hours (3.191E+007 days)

Removal In Wastewater Treatment:

Total removal: 78.33 percent

Total biodegradation: 0.68 percent

Total sludge adsorption: 77.64 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 0.00432 0.506 1000

Water 4.78 4.32e+003 1000

Soil 78.1 8.64e+003 1000

Sediment 17.1 3.89e+004 0

Persistence Time: 5.43e+003 hr

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