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CAS Number: 9004-99-3

SMILES : CCCCCCCCCCCCCCCCCC(=O)OCCOCCOCCOCCOCCO

CHEM : Poly(oxy-1,2-ethanediyl), -(1-oxooctadecyl)- -hydroxy-

MOL FOR: C28 H56 O7

MOL WT : 504.75

------------------------------ EPI SUMMARY (v4.11) --------------------------

Physical Property Inputs:

Log Kow (octanol-water): ------

Boiling Point (deg C) : ------

Melting Point (deg C) : ------

Vapor Pressure (mm Hg) : ------

Water Solubility (mg/L): ------

Henry LC (atm-m3/mole) : ------

Log Octanol-Water Partition Coef (SRC):

Log Kow (KOWWIN v1.68 estimate) = 6.16

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

Boiling Pt (deg C): 545.09 (Adapted Stein & Brown method)

Melting Pt (deg C): 228.54 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 4.99E-014 (Modified Grain method)

VP (Pa, 25 deg C) : 6.65E-012 (Modified Grain method)

Subcooled liquid VP: 7.65E-012 mm Hg (25 deg C, Mod-Grain method)

: 1.02E-009 Pa (25 deg C, Mod-Grain method)

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

Water Solubility at 25 deg C (mg/L): 0.01187

log Kow used: 6.16 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 0.087883 mg/L

ECOSAR Class Program (ECOSAR v1.11):

Class(es) found:

Esters

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

Bond Method : 4.62E-014 atm-m3/mole (4.68E-009 Pa-m3/mole)

Group Method: 9.52E-018 atm-m3/mole (9.64E-013 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: 2.792E-012 atm-m3/mole (2.829E-007 Pa-m3/mole)

VP: 4.99E-014 mm Hg (source: MPBPVP)

WS: 0.0119 mg/L (source: WSKOWWIN)

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

Log Kow used: 6.16 (KowWin est)

Log Kaw used: -11.724 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 17.884

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : -0.4409

Biowin2 (Non-Linear Model) : 0.0000

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.6476 (weeks-months)

Biowin4 (Primary Survey Model) : 3.7080 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 1.0065

Biowin6 (MITI Non-Linear Model): 0.8968

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.3901

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): 1.02E-009 Pa (7.65E-012 mm Hg)

Log Koa (Koawin est ): 17.884

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

Mackay model : 2.94E+003

Octanol/air (Koa) model: 1.88E+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 = 83.5163 E-12 cm3/molecule-sec

Half-Life = 0.128 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 1.537 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 : 3321 L/kg (MCI method)

Log Koc: 3.521 (MCI method)

Koc : 3111 L/kg (Kow method)

Log Koc: 3.493 (Kow method)

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

Total Kb for pH > 8 at 25 deg C : 6.204E-002 L/mol-sec

Kb Half-Life at pH 8: 129.295 days

Kb Half-Life at pH 7: 3.540 years

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

Bioaccumulation Estimates (BCFBAF v3.01):

Log BCF from regression-based method = 2.357 (BCF = 227.3 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.8989 days (HL = 0.1262 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.624 (BCF = 42.04)

Log BAF Arnot-Gobas method (upper trophic) = 1.624 (BAF = 42.09)

log Kow used: 6.16 (estimated)

Volatilization from Water:

Henry LC: 9.52E-018 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 1.382E+014 hours (5.757E+012 days)

Half-Life from Model Lake : 1.507E+015 hours (6.28E+013 days)

Removal In Wastewater Treatment:

Total removal: 92.73 percent

Total biodegradation: 0.77 percent

Total sludge adsorption: 91.96 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 1.21e-005 3.07 1000

Water 11.1 900 1000

Soil 86.9 1.8e+003 1000

Sediment 1.97 8.1e+003 0

Persistence Time: 1.88e+003 hr

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