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CAS Number: 61791-29-5

SMILES : CCCCCCCCCCCC(=O)OCCOCCOCCOCCOCCO

CHEM : Fatty acids, coco, ethoxylated

MOL FOR: C22 H44 O7

MOL WT : 420.59

------------------------------ EPI SUMMARY (v4.10) --------------------------

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) = 3.21

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

Boiling Pt (deg C): 475.47 (Adapted Stein & Brown method)

Melting Pt (deg C): 182.49 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 2.37E-011 (Modified Grain method)

VP (Pa, 25 deg C) : 3.16E-009 (Modified Grain method)

Subcooled liquid VP: 1.04E-009 mm Hg (25 deg C, Mod-Grain method)

: 1.39E-007 Pa (25 deg C, Mod-Grain method)

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

Water Solubility at 25 deg C (mg/L): 13.31

log Kow used: 3.21 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 122.12 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Esters

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

Bond Method : 8.44E-015 atm-m3/mole (8.55E-010 Pa-m3/mole)

Group Method: 1.20E-018 atm-m3/mole (1.21E-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: 9.854E-013 atm-m3/mole (9.985E-008 Pa-m3/mole)

VP: 2.37E-011 mm Hg (source: MPBPVP)

WS: 13.3 mg/L (source: WSKOWWIN)

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

Log Kow used: 3.21 (KowWin est)

Log Kaw used: -12.462 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 15.672

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : -0.4008

Biowin2 (Non-Linear Model) : 0.0001

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.8336 (weeks )

Biowin4 (Primary Survey Model) : 3.8294 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.9604

Biowin6 (MITI Non-Linear Model): 0.8823

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.2342

Ready Biodegradability Prediction: YES

Hydrocarbon Biodegradation (BioHCwin v1.01):

Structure incompatible with current estimation method!

Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:

Vapor pressure (liquid/subcooled): 1.39E-007 Pa (1.04E-009 mm Hg)

Log Koa (Koawin est ): 15.672

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

Mackay model : 21.6

Octanol/air (Koa) model: 1.15E+003

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.999

Mackay model : 0.999

Octanol/air (Koa) model: 1

Atmospheric Oxidation (25 deg C) [AopWin v1.92]:

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 75.0380 E-12 cm3/molecule-sec

Half-Life = 0.143 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 1.710 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.999 (Junge-Pankow, Mackay avg)

1 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 90.64 L/kg (MCI method)

Log Koc: 1.957 (MCI method)

Koc : 72.65 L/kg (Kow method)

Log Koc: 1.861 (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 = 1.787 (BCF = 61.21 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -1.7338 days (HL = 0.01846 days)

Log BCF Arnot-Gobas method (upper trophic) = 0.905 (BCF = 8.03)

Log BAF Arnot-Gobas method (upper trophic) = 0.905 (BAF = 8.03)

log Kow used: 3.21 (estimated)

Volatilization from Water:

Henry LC: 1.2E-018 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 1.001E+015 hours (4.169E+013 days)

Half-Life from Model Lake : 1.092E+016 hours (4.548E+014 days)

Removal In Wastewater Treatment:

Total removal: 7.93 percent

Total biodegradation: 0.14 percent

Total sludge adsorption: 7.79 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 2.32e-008 3.42 1000

Water 19.7 360 1000

Soil 80.2 720 1000

Sediment 0.108 3.24e+003 0

Persistence Time: 742 hr

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