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CAS Number: 8013-07-8

SMILES : CCCCCC2C(O2)CC1C(O1)CCCCCCCC(=O)(OCC(OC(=O)(CCCCCCCC(O3)C3CC(O4)C4CCC

CC))COC(=O)(CCCCCCCC(O5)C5CC(O6)C6CCCCC))

CHEM : Soybean oil, epoxidized

MOL FOR: C57 H98 O12

MOL WT : 975.41

------------------------------ 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) = 14.84

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

Boiling Pt (deg C): 898.60 (Adapted Stein & Brown method)

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

VP(mm Hg,25 deg C): 1.2E-022 (Modified Grain method)

VP (Pa, 25 deg C) : 1.6E-020 (Modified Grain method)

Subcooled liquid VP: 6.17E-019 mm Hg (25 deg C, Mod-Grain method)

: 8.22E-017 Pa (25 deg C, Mod-Grain method)

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

Water Solubility at 25 deg C (mg/L): 1.026e-013

log Kow used: 14.84 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 9.7541e-007 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Epoxides, Poly

Esters

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

Bond Method : 1.54E-018 atm-m3/mole (1.56E-013 Pa-m3/mole)

Group Method: 1.23E-024 atm-m3/mole (1.24E-019 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: 1.501E-009 atm-m3/mole (1.521E-004 Pa-m3/mole)

VP: 1.2E-022 mm Hg (source: MPBPVP)

WS: 1.03E-013 mg/L (source: WSKOWWIN)

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

Log Kow used: 14.84 (KowWin est)

Log Kaw used: -16.201 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 31.041

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : -0.9532

Biowin2 (Non-Linear Model) : 0.0000

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.3073 (weeks-months)

Biowin4 (Primary Survey Model) : 3.8761 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.8280

Biowin6 (MITI Non-Linear Model): 0.0146

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.0886

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): 8.23E-017 Pa (6.17E-019 mm Hg)

Log Koa (Koawin est ): 31.041

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

Mackay model : 3.65E+010

Octanol/air (Koa) model: 2.7E+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 = 60.0773 E-12 cm3/molecule-sec

Half-Life = 0.178 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 2.136 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

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 : 1E+010 L/kg (MCI method)

Log Koc: 10.410 (MCI method)

Koc : 2.876E+008 L/kg (Kow method)

Log Koc: 8.459 (Kow method)

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

Total Kb for pH > 8 at 25 deg C : 3.201E-001 L/mol-sec

Kb Half-Life at pH 8: 25.063 days

Kb Half-Life at pH 7: 250.627 days

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

Total Ka (acid-catalyzed) at 25 deg C : 2.584E-001 L/mol-sec

Ka Half-Life at pH 7: 310.464 days

(Total Ka applies to epoxide(s) only)

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) = -0.0887 days (HL = 0.8153 days)

Log BCF Arnot-Gobas method (upper trophic) = -0.049 (BCF = 0.893)

Log BAF Arnot-Gobas method (upper trophic) = -0.049 (BAF = 0.893)

log Kow used: 14.84 (estimated)

Volatilization from Water:

Henry LC: 1.54E-018 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 1.187E+015 hours (4.947E+013 days)

Half-Life from Model Lake : 1.295E+016 hours (5.397E+014 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 0.14 4.27 1000

Water 16.2 900 1000

Soil 83.4 1.8e+003 1000

Sediment 0.28 8.1e+003 0

Persistence Time: 1.18e+003 hr

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