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CAS Num: 000532-08-1

SMILES : C=CCc1cc(OC)c(OC(=O)C=Cc2ccccc2)cc1

CHEM :

MOL FOR: C19 H18 O3

MOL WT : 294.35

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

Physical Property Inputs:

Water Solubility (mg/L): ------

Vapor Pressure (mm Hg) : ------

Henry LC (atm-m3/mole) : ------

Log Kow (octanol-water): ------

Boiling Point (deg C) : ------

Melting Point (deg C) : ------

Log Octanol-Water Partition Coef (SRC):

Log Kow (KOWWIN v1.67 estimate) = 5.05

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

Boiling Pt (deg C): 392.80 (Adapted Stein & Brown method)

Melting Pt (deg C): 132.57 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 1.04E-006 (Modified Grain method)

VP (Pa, 25 deg C) : 0.000138 (Modified Grain method)

Subcooled liquid VP: 1.24E-005 mm Hg (25 deg C, Mod-Grain method)

: 0.00166 Pa (25 deg C, Mod-Grain method)

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

Water Solubility at 25 deg C (mg/L): 0.6475

log Kow used: 5.05 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 0.16372 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Acrylates

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

Bond Method : 1.31E-007 atm-m3/mole (1.33E-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: 6.221E-007 atm-m3/mole (6.303E-002 Pa-m3/mole)

VP: 1.04E-006 mm Hg (source: MPBPVP)

WS: 0.647 mg/L (source: WSKOWWIN)

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

Log Kow used: 5.05 (KowWin est)

Log Kaw used: -5.271 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 10.321

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 1.0963

Biowin2 (Non-Linear Model) : 0.9995

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.5779 (weeks-months)

Biowin4 (Primary Survey Model) : 3.6655 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.4168

Biowin6 (MITI Non-Linear Model): 0.2307

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.0717

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): 0.00165 Pa (1.24E-005 mm Hg)

Log Koa (Koawin est ): 10.321

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

Mackay model : 0.00181

Octanol/air (Koa) model: 0.00514

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.0615

Mackay model : 0.127

Octanol/air (Koa) model: 0.291

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 88.8850 E-12 cm3/molecule-sec [Cis-isomer]

OVERALL OH Rate Constant = 91.5450 E-12 cm3/molecule-sec [Trans-isomer]

Half-Life = 1.444 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]

Half-Life = 1.402 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]

Ozone Reaction:

OVERALL Ozone Rate Constant = 2.250000 E-17 cm3/molecule-sec [Cis-]

OVERALL Ozone Rate Constant = 3.300000 E-17 cm3/molecule-sec [Trans-]

Half-Life = 12.224 Hrs (at 7E11 mol/cm3) [Cis-isomer]

Half-Life = 8.335 Hrs (at 7E11 mol/cm3) [Trans-isomer]

Fraction sorbed to airborne particulates (phi):

0.0941 (Junge-Pankow, Mackay avg)

0.291 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 1.637E+004 L/kg (MCI method)

Log Koc: 4.214 (MCI method)

Koc : 5114 L/kg (Kow method)

Log Koc: 3.709 (Kow method)

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

Total Kb for pH > 8 at 25 deg C : 1.832E-001 L/mol-sec

Kb Half-Life at pH 8: 43.791 days

Kb Half-Life at pH 7: 1.199 years

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

Bioaccumulation Estimates (BCFBAF v3.00):

Log BCF from regression-based method = 2.997 (BCF = 994.2 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.3172 days (HL = 0.4818 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.295 (BCF = 197.4)

Log BAF Arnot-Gobas method (upper trophic) = 2.296 (BAF = 197.7)

log Kow used: 5.05 (estimated)

Volatilization from Water:

Henry LC: 1.31E-007 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 7670 hours (319.6 days)

Half-Life from Model Lake : 8.381E+004 hours (3492 days)

Removal In Wastewater Treatment:

Total removal: 79.23 percent

Total biodegradation: 0.69 percent

Total sludge adsorption: 78.54 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 0.0806 2.34 1000

Water 14.2 900 1000

Soil 72.3 1.8e+003 1000

Sediment 13.4 8.1e+003 0

Persistence Time: 1.26e+003 hr

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