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CAS Num: 009005-66-7

SMILES : OCCOCCOCCOCCOCCOC(COC(=O)(CCCCCCCCCCCCCCC))C1C(OCCOCCOCCOCCOCCO)C(OCC

OCCOCCOCCOCCO)CO1

CHEM : Sorbitan, monohexadecanoate, poly(oxy-1,2-ethanediyl) derivs.

MOL FOR: C52 H102 O21

MOL WT : 1063.38

------------------------------ EPI SUMMARY (v4.00) --------------------------

Physical Property Inputs:

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

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

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

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

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

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

Log Octanol-Water Partition Coef (SRC):

Log Kow (KOWWIN v1.67 estimate) = -0.06

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

Boiling Pt (deg C): 1048.20 (Adapted Stein & Brown method)

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

VP(mm Hg,25 deg C): 1.65E-034 (Modified Grain method)

VP (Pa, 25 deg C) : 2.21E-032 (Modified Grain method)

Subcooled liquid VP: 8.48E-031 mm Hg (25 deg C, Mod-Grain method)

: 1.13E-028 Pa (25 deg C, Mod-Grain method)

Water Solubility Estimate from Log Kow (WSKOW v1.41):

Water Solubility at 25 deg C (mg/L): 0.1365

log Kow used: -0.06 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 1.3088e+005 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Esters

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

Bond Method : 6.80E-040 atm-m3/mole (6.89E-035 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: 1.025E-029 atm-m3/mole (1.039E-024 Pa-m3/mole)

VP: 1E-030 mm Hg (source: MPBPVP)

WS: 0.137 mg/L (source: WSKOWWIN)

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

Log Kow used: -0.06 (KowWin est)

Log Kaw used: -37.556 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 37.496

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : -4.5577

Biowin2 (Non-Linear Model) : 0.0000

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 1.6290 (recalcitrant)

Biowin4 (Primary Survey Model) : 3.0441 (weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.6298

Biowin6 (MITI Non-Linear Model): 0.0048

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -2.1051

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): 1.13E-028 Pa (8.48E-031 mm Hg)

Log Koa (Koawin est ): 37.496

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

Mackay model : 2.65E+022

Octanol/air (Koa) model: 7.69E+024

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 = 278.9238 E-12 cm3/molecule-sec

Half-Life = 0.038 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 27.610 Min

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 : 2.644E+009 L/kg (MCI method)

Log Koc: 9.422 (MCI method)

Koc : 0.234 L/kg (Kow method)

Log Koc: -0.631 (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 v3.00):

Log BCF from regression-based method = 0.500 (BCF = 3.162 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -3.9645 days (HL = 0.0001085 days)

Log BCF Arnot-Gobas method (upper trophic) = -0.041 (BCF = 0.9097)

Log BAF Arnot-Gobas method (upper trophic) = -0.041 (BAF = 0.9097)

log Kow used: -0.06 (estimated)

Volatilization from Water:

Henry LC: 6.8E-040 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 2.808E+036 hours (1.17E+035 days)

Half-Life from Model Lake : 3.063E+037 hours (1.276E+036 days)

Removal In Wastewater Treatment:

Total removal: 1.85 percent

Total biodegradation: 0.09 percent

Total sludge adsorption: 1.76 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 2.05e-009 0.92 1000

Water 0.548 4.32e+003 1000

Soil 52.1 8.64e+003 1000

Sediment 47.4 3.89e+004 0

Persistence Time: 1.51e+004 hr

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