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CAS Number: 68201-46-7

SMILES : OCCOCCOCCOCCOCCOCC(OCCOCCOCCOCCOCCO)COC(=O)(CCCCCCCCCCC)

CHEM : Glycerides, coco mono- and di-, ethoxylated

MOL FOR: C35 H70 O14

MOL WT : 714.94

------------------------------ 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) = 0.93

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

Boiling Pt (deg C): 735.10 (Adapted Stein & Brown method)

Melting Pt (deg C): 322.42 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 4.95E-022 (Modified Grain method)

VP (Pa, 25 deg C) : 6.6E-020 (Modified Grain method)

Subcooled liquid VP: 1.12E-018 mm Hg (25 deg C, Mod-Grain method)

: 1.49E-016 Pa (25 deg C, Mod-Grain method)

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

Water Solubility at 25 deg C (mg/L): 4.519

log Kow used: 0.93 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 39199 mg/L

ECOSAR Class Program (ECOSAR v1.11):

Class(es) found:

Esters

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

Bond Method : 5.77E-027 atm-m3/mole (5.85E-022 Pa-m3/mole)

Group Method: 3.08E-039 atm-m3/mole (3.12E-034 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: 1.030E-022 atm-m3/mole (1.044E-017 Pa-m3/mole)

VP: 4.95E-022 mm Hg (source: MPBPVP)

WS: 4.52 mg/L (source: WSKOWWIN)

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

Log Kow used: 0.93 (KowWin est)

Log Kaw used: -24.627 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 25.557

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : -2.4663

Biowin2 (Non-Linear Model) : 0.0000

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.2910 (weeks-months)

Biowin4 (Primary Survey Model) : 3.4758 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.7970

Biowin6 (MITI Non-Linear Model): 0.2559

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -1.0305

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): 1.49E-016 Pa (1.12E-018 mm Hg)

Log Koa (Koawin est ): 25.557

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

Mackay model : 2.01E+010

Octanol/air (Koa) model: 8.85E+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 = 174.1884 E-12 cm3/molecule-sec

Half-Life = 0.061 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 0.737 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 : 1593 L/kg (MCI method)

Log Koc: 3.202 (MCI method)

Koc : 0.8257 L/kg (Kow method)

Log Koc: -0.083 (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 = 0.500 (BCF = 3.162 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -3.1541 days (HL = 0.0007013 days)

Log BCF Arnot-Gobas method (upper trophic) = 0.020 (BCF = 1.046)

Log BAF Arnot-Gobas method (upper trophic) = 0.020 (BAF = 1.046)

log Kow used: 0.93 (estimated)

Volatilization from Water:

Henry LC: 5.77E-027 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 2.713E+023 hours (1.13E+022 days)

Half-Life from Model Lake : 2.96E+024 hours (1.233E+023 days)

Removal In Wastewater Treatment:

Total removal: 1.88 percent

Total biodegradation: 0.09 percent

Total sludge adsorption: 1.79 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 8.86e-008 1.47 1000

Water 11.5 900 1000

Soil 87.5 1.8e+003 1000

Sediment 1.03 8.1e+003 0

Persistence Time: 1.85e+003 hr

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