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CAS Number: 10605-09-1

SMILES : O1C(=O)C(O)=C(O)C1C(O)COC(=O)CCCCCCCCCCCCCCCCC

CHEM :

MOL FOR: C24 H42 O7

MOL WT : 442.60

------------------------------ 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) = 6.98

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

Boiling Pt (deg C): 616.23 (Adapted Stein & Brown method)

Melting Pt (deg C): 266.89 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 5.39E-018 (Modified Grain method)

VP (Pa, 25 deg C) : 7.19E-016 (Modified Grain method)

Subcooled liquid VP: 2.44E-015 mm Hg (25 deg C, Mod-Grain method)

: 3.25E-013 Pa (25 deg C, Mod-Grain method)

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

Water Solubility at 25 deg C (mg/L): 0.005839

log Kow used: 6.98 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 0.002577 mg/L

ECOSAR Class Program (ECOSAR v1.11):

Class(es) found:

Esters

Vinyl/Allyl Alcohols

Vinyl/Allyl Esters

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

Bond Method : 2.47E-007 atm-m3/mole (2.50E-002 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: 5.376E-016 atm-m3/mole (5.447E-011 Pa-m3/mole)

VP: 5.39E-018 mm Hg (source: MPBPVP)

WS: 0.00584 mg/L (source: WSKOWWIN)

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

Log Kow used: 6.98 (KowWin est)

Log Kaw used: -4.996 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 11.976

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 1.4698

Biowin2 (Non-Linear Model) : 1.0000

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.2798 (days-weeks )

Biowin4 (Primary Survey Model) : 4.3245 (hours-days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 1.3686

Biowin6 (MITI Non-Linear Model): 0.9914

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 1.4962

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): 3.25E-013 Pa (2.44E-015 mm Hg)

Log Koa (Koawin est ): 11.976

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

Mackay model : 9.22E+006

Octanol/air (Koa) model: 0.232

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 1

Mackay model : 1

Octanol/air (Koa) model: 0.949

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 74.9291 E-12 cm3/molecule-sec

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

Half-Life = 1.713 Hrs

Ozone Reaction:

OVERALL Ozone Rate Constant = 1.137500 E-17 cm3/molecule-sec

Half-Life = 1.007 Days (at 7E11 mol/cm3)

Half-Life = 24.179 Hrs

Fraction sorbed to airborne particulates (phi):

1 (Junge-Pankow, Mackay avg)

0.949 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 1490 L/kg (MCI method)

Log Koc: 3.173 (MCI method)

Koc : 6790 L/kg (Kow method)

Log Koc: 3.832 (Kow method)

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

Total Kb for pH > 8 at 25 deg C : 2.848E-002 L/mol-sec

Kb Half-Life at pH 8: 281.632 days

Kb Half-Life at pH 7: 7.711 years

(Total Kb applies only to esters, carbmates, alkyl halides)

Bioaccumulation Estimates (BCFBAF v3.01):

Log BCF from regression-based method = 2.900 (BCF = 794.6 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -1.7198 days (HL = 0.01906 days)

Log BCF Arnot-Gobas method (upper trophic) = 0.678 (BCF = 4.76)

Log BAF Arnot-Gobas method (upper trophic) = 0.678 (BAF = 4.761)

log Kow used: 6.98 (estimated)

Volatilization from Water:

Henry LC: 2.47E-007 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 4989 hours (207.9 days)

Half-Life from Model Lake : 5.46E+004 hours (2275 days)

Removal In Wastewater Treatment:

Total removal: 93.84 percent

Total biodegradation: 0.78 percent

Total sludge adsorption: 93.06 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 0.41 3 1000

Water 26 208 1000

Soil 73 416 1000

Sediment 0.595 1.87e+003 0

Persistence Time: 300 hr

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