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CAS Number: 55306-04-2

SMILES : O=C(OC1OC(C(O)C(O)C1O)CO)C64C(C3=CCC2C5(CO)CC(O)C(O)C(C)(CO)C5CCC2(C)

C3(C)CC4)CC(C)(C)CC6

CHEM :

MOL FOR: C36 H58 O11

MOL WT : 666.86

------------------------------ 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) = 0.70

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

Boiling Pt (deg C): 842.50 (Adapted Stein & Brown method)

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

VP(mm Hg,25 deg C): 5.48E-027 (Modified Grain method)

VP (Pa, 25 deg C) : 7.31E-025 (Modified Grain method)

Subcooled liquid VP: 2.81E-023 mm Hg (25 deg C, Mod-Grain method)

: 3.75E-021 Pa (25 deg C, Mod-Grain method)

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

Water Solubility at 25 deg C (mg/L): 14.75

log Kow used: 0.70 (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 : 5.46E-020 atm-m3/mole (5.53E-015 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: 3.260E-028 atm-m3/mole (3.303E-023 Pa-m3/mole)

VP: 5.48E-027 mm Hg (source: MPBPVP)

WS: 14.8 mg/L (source: WSKOWWIN)

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

Log Kow used: 0.70 (KowWin est)

Log Kaw used: -17.651 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 18.351

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.4232

Biowin2 (Non-Linear Model) : 0.0007

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 1.8641 (months )

Biowin4 (Primary Survey Model) : 3.2198 (weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 1.2267

Biowin6 (MITI Non-Linear Model): 0.1530

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -1.2716

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): 3.75E-021 Pa (2.81E-023 mm Hg)

Log Koa (Koawin est ): 18.351

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

Mackay model : 8.01E+014

Octanol/air (Koa) model: 5.51E+005

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 = 216.0833 E-12 cm3/molecule-sec

Half-Life = 0.049 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 0.594 Hrs

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 : 1.647E+007 L/kg (MCI method)

Log Koc: 7.217 (MCI method)

Koc : 2.154 L/kg (Kow method)

Log Koc: 0.333 (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) = -2.1995 days (HL = 0.006316 days)

Log BCF Arnot-Gobas method (upper trophic) = -0.001 (BCF = 0.9967)

Log BAF Arnot-Gobas method (upper trophic) = -0.001 (BAF = 0.9967)

log Kow used: 0.70 (estimated)

Volatilization from Water:

Henry LC: 5.46E-020 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 2.769E+016 hours (1.154E+015 days)

Half-Life from Model Lake : 3.021E+017 hours (1.259E+016 days)

Removal In Wastewater Treatment:

Total removal: 1.87 percent

Total biodegradation: 0.09 percent

Total sludge adsorption: 1.77 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 0.00864 0.9 1000

Water 1.34 1.44e+003 1000

Soil 30 2.88e+003 1000

Sediment 68.6 1.3e+004 0

Persistence Time: 4.77e+003 hr

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