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CAS Number: 9004-80-2

SMILES : CCCCCCCCCCOCCOCCOCCOCCOCCOP(=O)(O)O

CHEM : Poly(oxy-1,2-ethanediyl), -phosphono- -(decyloxy)-

MOL FOR: C20 H43 O9 P1

MOL WT : 458.53

------------------------------ 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) = 2.33

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

Boiling Pt (deg C): 480.00 (Adapted Stein & Brown method)

Melting Pt (deg C): 90.27 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 6.06E-011 (Modified Grain method)

VP (Pa, 25 deg C) : 8.07E-009 (Modified Grain method)

Subcooled liquid VP: 2.58E-010 mm Hg (25 deg C, Mod-Grain method)

: 3.44E-008 Pa (25 deg C, Mod-Grain method)

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

Water Solubility at 25 deg C (mg/L): 13.36

log Kow used: 2.33 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 2421.6 mg/L

ECOSAR Class Program (ECOSAR v1.11):

Class(es) found:

Neutral Organics

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

Bond Method : 2.82E-020 atm-m3/mole (2.86E-015 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: 2.737E-012 atm-m3/mole (2.773E-007 Pa-m3/mole)

VP: 6.06E-011 mm Hg (source: MPBPVP)

WS: 13.4 mg/L (source: WSKOWWIN)

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

Log Kow used: 2.33 (KowWin est)

Log Kaw used: -17.938 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 20.268

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : -1.0991

Biowin2 (Non-Linear Model) : 0.0000

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.4409 (weeks-months)

Biowin4 (Primary Survey Model) : 3.4066 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.2947

Biowin6 (MITI Non-Linear Model): 0.0445

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.3537

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): 3.44E-008 Pa (2.58E-010 mm Hg)

Log Koa (Koawin est ): 20.268

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

Mackay model : 87.2

Octanol/air (Koa) model: 4.55E+007

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 = 107.7241 E-12 cm3/molecule-sec

Half-Life = 0.099 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 1.191 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 : 217.9 L/kg (MCI method)

Log Koc: 2.338 (MCI method)

Koc : 73.16 L/kg (Kow method)

Log Koc: 1.864 (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 v3.01):

Log BCF from regression-based method = 1.207 (BCF = 16.11 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -1.3032 days (HL = 0.04975 days)

Log BCF Arnot-Gobas method (upper trophic) = 0.992 (BCF = 9.815)

Log BAF Arnot-Gobas method (upper trophic) = 0.992 (BAF = 9.815)

log Kow used: 2.33 (estimated)

Volatilization from Water:

Henry LC: 2.82E-020 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 4.446E+016 hours (1.852E+015 days)

Half-Life from Model Lake : 4.85E+017 hours (2.021E+016 days)

Removal In Wastewater Treatment:

Total removal: 2.69 percent

Total biodegradation: 0.10 percent

Total sludge adsorption: 2.60 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 7.52e-010 2.38 1000

Water 14.2 900 1000

Soil 85.6 1.8e+003 1000

Sediment 0.18 8.1e+003 0

Persistence Time: 1.72e+003 hr

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