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CAS Number: 34540-22-2

SMILES : O=C(OC3OC(COC2OC(C(OC1OC(C)C(O)C(O)C1O)C(O)C2O)CO)C(O)C(O)C3O)C86C(C5

=CCC4C7(C)CC(O)C(O)C(CO)(C)C7C(O)CC4(C)C5(C)CC6)C(C)C(C)CC8

CHEM :

MOL FOR: C48 H78 O20

MOL WT : 975.14

------------------------------ 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) = -1.84

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

Boiling Pt (deg C): 1212.91 (Adapted Stein & Brown method)

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

VP(mm Hg,25 deg C): 1.08E-040 (Modified Grain method)

VP (Pa, 25 deg C) : 1.44E-038 (Modified Grain method)

Subcooled liquid VP: 5.54E-037 mm Hg (25 deg C, Mod-Grain method)

: 7.39E-035 Pa (25 deg C, Mod-Grain method)

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

Water Solubility at 25 deg C (mg/L): 18.13

log Kow used: -1.84 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

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

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Esters

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

Bond Method : 6.30E-034 atm-m3/mole (6.38E-029 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: 7.077E-032 atm-m3/mole (7.171E-027 Pa-m3/mole)

VP: 1E-030 mm Hg (source: MPBPVP)

WS: 18.1 mg/L (source: WSKOWWIN)

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

Log Kow used: -1.84 (KowWin est)

Log Kaw used: -31.589 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 29.749

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : -0.1355

Biowin2 (Non-Linear Model) : 0.0000

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.1601 (months )

Biowin4 (Primary Survey Model) : 3.5368 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 1.1767

Biowin6 (MITI Non-Linear Model): 0.0002

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.7088

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): 7.39E-035 Pa (5.54E-037 mm Hg)

Log Koa (Koawin est ): 29.749

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

Mackay model : 4.06E+028

Octanol/air (Koa) model: 1.38E+017

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 = 340.8161 E-12 cm3/molecule-sec

Half-Life = 0.031 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 22.596 Min

Ozone Reaction:

OVERALL Ozone Rate Constant = 7.393750 E-17 cm3/molecule-sec

Half-Life = 0.155 Days (at 7E11 mol/cm3)

Half-Life = 3.720 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 : 7.429E+008 L/kg (MCI method)

Log Koc: 8.871 (MCI method)

Koc : 0.0368 L/kg (Kow method)

Log Koc: -1.434 (Kow method)

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

Total Kb for pH > 8 at 25 deg C : 2.134E-006 L/mol-sec

Kb Half-Life at pH 8: 1.029E+004 years

Kb Half-Life at pH 7: 1.029E+005 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) = -3.3417 days (HL = 0.0004553 days)

Log BCF Arnot-Gobas method (upper trophic) = -0.049 (BCF = 0.8933)

Log BAF Arnot-Gobas method (upper trophic) = -0.049 (BAF = 0.8933)

log Kow used: -1.84 (estimated)

Volatilization from Water:

Henry LC: 6.3E-034 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 2.902E+030 hours (1.209E+029 days)

Half-Life from Model Lake : 3.166E+031 hours (1.319E+030 days)

Removal In Wastewater Treatment:

Total removal: 1.85 percent

Total biodegradation: 0.09 percent

Total sludge adsorption: 1.75 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 0.00608 0.626 1000

Water 1.29 1.44e+003 1000

Soil 29.6 2.88e+003 1000

Sediment 69.1 1.3e+004 0

Persistence Time: 4.78e+003 hr

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