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CAS Number: 9004-98-2

SMILES : CCCCCCCCC=CCCCCCCCCOCCOCCOCCOCCOCCO

CHEM : Poly(oxy-1,2-ethanediyl), -9-octadecenyl- -hydroxy-, (Z)-

MOL FOR: C28 H56 O6

MOL WT : 488.76

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

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 v1.67 estimate) = 6.13

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

Boiling Pt (deg C): 534.55 (Adapted Stein & Brown method)

Melting Pt (deg C): 218.58 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 1.39E-013 (Modified Grain method)

VP (Pa, 25 deg C) : 1.86E-011 (Modified Grain method)

Subcooled liquid VP: 1.62E-011 mm Hg (25 deg C, Mod-Grain method)

: 2.16E-009 Pa (25 deg C, Mod-Grain method)

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

Water Solubility at 25 deg C (mg/L): 0.01594

log Kow used: 6.13 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 0.27326 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 2.65E-013 atm-m3/mole (2.69E-008 Pa-m3/mole)

Group Method: 1.44E-017 atm-m3/mole (1.46E-012 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: 5.608E-012 atm-m3/mole (5.682E-007 Pa-m3/mole)

VP: 1.39E-013 mm Hg (source: MPBPVP)

WS: 0.0159 mg/L (source: WSKOWWIN)

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

Log Kow used: 6.13 (KowWin est)

Log Kaw used: -10.965 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 17.095

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : -0.9548

Biowin2 (Non-Linear Model) : 0.0000

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.5340 (weeks-months)

Biowin4 (Primary Survey Model) : 3.4924 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.6748

Biowin6 (MITI Non-Linear Model): 0.4251

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.2120

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): 2.16E-009 Pa (1.62E-011 mm Hg)

Log Koa (Koawin est ): 17.095

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

Mackay model : 1.39E+003

Octanol/air (Koa) model: 3.05E+004

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 = 152.4040 E-12 cm3/molecule-sec [Cis-isomer]

OVERALL OH Rate Constant = 160.0040 E-12 cm3/molecule-sec [Trans-isomer]

Half-Life = 0.842 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]

Half-Life = 0.802 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]

Ozone Reaction:

OVERALL Ozone Rate Constant = 13.000000 E-17 cm3/molecule-sec [Cis-]

OVERALL Ozone Rate Constant = 20.000000 E-17 cm3/molecule-sec [Trans-]

Half-Life = 2.116 Hrs (at 7E11 mol/cm3) [Cis-isomer]

Half-Life = 1.375 Hrs (at 7E11 mol/cm3) [Trans-isomer]

Reaction With Nitrate Radicals May Be Important!

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 : 5512 L/kg (MCI method)

Log Koc: 3.741 (MCI method)

Koc : 2827 L/kg (Kow method)

Log Koc: 3.451 (Kow method)

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

Rate constants can NOT be estimated for this structure!

Bioaccumulation Estimates (BCFBAF v3.00):

Log BCF from regression-based method = 2.337 (BCF = 217.2 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 0.0670 days (HL = 1.167 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.581 (BCF = 381.1)

Log BAF Arnot-Gobas method (upper trophic) = 2.620 (BAF = 417)

log Kow used: 6.13 (estimated)

Volatilization from Water:

Henry LC: 1.44E-017 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 8.989E+013 hours (3.745E+012 days)

Half-Life from Model Lake : 9.806E+014 hours (4.086E+013 days)

Removal In Wastewater Treatment:

Total removal: 92.64 percent

Total biodegradation: 0.77 percent

Total sludge adsorption: 91.86 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 8.14e-006 0.938 1000

Water 10.8 900 1000

Soil 86 1.8e+003 1000

Sediment 3.22 8.1e+003 0

Persistence Time: 1.9e+003 hr

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