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CAS Number: 68425-36-5

SMILES : CCCCCCCCCCCCCCCCCC(=O)OCC(OC(=O)CCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC

CCCCCC

CHEM : Peanut oil, hydrogenated

MOL FOR: C58 H112 O6

MOL WT : 905.54

------------------------------ 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) = 24.43

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

Boiling Pt (deg C): 830.12 (Adapted Stein & Brown method)

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

VP(mm Hg,25 deg C): 9.5E-021 (Modified Grain method)

VP (Pa, 25 deg C) : 1.27E-018 (Modified Grain method)

Subcooled liquid VP: 4.87E-017 mm Hg (25 deg C, Mod-Grain method)

: 6.49E-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): 1.995e-021

log Kow used: 24.43 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 9.0554e-007 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Esters

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

Bond Method : 1.87E-003 atm-m3/mole (1.90E+002 Pa-m3/mole)

Group Method: 1.14E-003 atm-m3/mole (1.16E+002 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: 5.972E+005 atm-m3/mole (6.052E+010 Pa-m3/mole)

VP: 1E-015 mm Hg (source: MPBPVP)

WS: 1.99E-021 mg/L (source: WSKOWWIN)

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

Log Kow used: 24.43 (KowWin est)

Log Kaw used: -1.117 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 25.547

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 1.1643

Biowin2 (Non-Linear Model) : 0.9996

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.5137 (weeks-months)

Biowin4 (Primary Survey Model) : 4.0354 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 1.5202

Biowin6 (MITI Non-Linear Model): 0.9963

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 1.3194

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): 6.49E-015 Pa (4.87E-017 mm Hg)

Log Koa (Koawin est ): 25.547

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

Mackay model : 4.62E+008

Octanol/air (Koa) model: 8.65E+012

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 = 74.1500 E-12 cm3/molecule-sec

Half-Life = 0.144 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 1.731 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: 14.441 (MCI method)

Koc : 2.027E+014 L/kg (Kow method)

Log Koc: 14.307 (Kow method)

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

Total Kb for pH > 8 at 25 deg C : 1.455E-001 L/mol-sec

Kb Half-Life at pH 8: 55.135 days

Kb Half-Life at pH 7: 1.510 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) = 3.2467 days (HL = 1765 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: 24.43 (estimated)

Volatilization from Water:

Henry LC: 0.00114 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 4.616 hours

Half-Life from Model Lake : 302.7 hours (12.61 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 0.12 3.46 1000

Water 16.5 900 1000

Soil 83.4 1.8e+003 1000

Sediment 7.33e-011 8.1e+003 0

Persistence Time: 1.15e+003 hr

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