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CAS Number: 35730-78-0

SMILES : C=C1CC(C2C(C3C1CC(C3=C)O)OC(=O)C2=C)OC(=O)C(=C)CO

CHEM :

MOL FOR: C19 H22 O6

MOL WT : 346.38

------------------------------ 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) = 1.08

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

Boiling Pt (deg C): 488.44 (Adapted Stein & Brown method)

Melting Pt (deg C): 196.51 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 2.19E-012 (Modified Grain method)

VP (Pa, 25 deg C) : 2.92E-010 (Modified Grain method)

Subcooled liquid VP: 1.4E-010 mm Hg (25 deg C, Mod-Grain method)

: 1.86E-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): 774.6

log Kow used: 1.08 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 250.62 mg/L

ECOSAR Class Program (ECOSAR v1.11):

Class(es) found:

Acrylates

Vinyl/Allyl Alcohols

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

Bond Method : 4.30E-013 atm-m3/mole (4.35E-008 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: 1.289E-015 atm-m3/mole (1.306E-010 Pa-m3/mole)

VP: 2.19E-012 mm Hg (source: MPBPVP)

WS: 775 mg/L (source: WSKOWWIN)

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

Log Kow used: 1.08 (KowWin est)

Log Kaw used: -10.755 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 11.835

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 1.2485

Biowin2 (Non-Linear Model) : 0.9998

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.0341 (weeks )

Biowin4 (Primary Survey Model) : 4.0648 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.9044

Biowin6 (MITI Non-Linear Model): 0.4454

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.8798

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): 1.87E-008 Pa (1.4E-010 mm Hg)

Log Koa (Koawin est ): 11.835

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

Mackay model : 161

Octanol/air (Koa) model: 0.168

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 1

Mackay model : 1

Octanol/air (Koa) model: 0.931

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 163.0640 E-12 cm3/molecule-sec

Half-Life = 0.066 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 0.787 Hrs

Ozone Reaction:

OVERALL Ozone Rate Constant = 4.675000 E-17 cm3/molecule-sec

Half-Life = 0.245 Days (at 7E11 mol/cm3)

Half-Life = 5.883 Hrs

Fraction sorbed to airborne particulates (phi):

1 (Junge-Pankow, Mackay avg)

0.931 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 31.52 L/kg (MCI method)

Log Koc: 1.499 (MCI method)

Koc : 3.702 L/kg (Kow method)

Log Koc: 0.568 (Kow method)

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

Total Kb for pH > 8 at 25 deg C : 7.461E-005 L/mol-sec

Kb Half-Life at pH 8: 294.369 years

Kb Half-Life at pH 7: 2943.688 years

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

Bioaccumulation Estimates (BCFBAF v3.01):

Log BCF from regression-based method = 0.381 (BCF = 2.407 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -2.0059 days (HL = 0.009865 days)

Log BCF Arnot-Gobas method (upper trophic) = 0.090 (BCF = 1.23)

Log BAF Arnot-Gobas method (upper trophic) = 0.090 (BAF = 1.23)

log Kow used: 1.08 (estimated)

Volatilization from Water:

Henry LC: 4.3E-013 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 2.534E+009 hours (1.056E+008 days)

Half-Life from Model Lake : 2.764E+010 hours (1.152E+009 days)

Removal In Wastewater Treatment:

Total removal: 1.89 percent

Total biodegradation: 0.09 percent

Total sludge adsorption: 1.80 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 0.0453 1.24 1000

Water 26.9 360 1000

Soil 73 720 1000

Sediment 0.0846 3.24e+003 0

Persistence Time: 572 hr

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