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CAS Num: 003488-00-4

SMILES : CCCCCCOC(=O)C=Cc1ccccc1

CHEM :

MOL FOR: C15 H20 O2

MOL WT : 232.33

------------------------------ 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) = 4.81

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

Boiling Pt (deg C): 318.65 (Adapted Stein & Brown method)

Melting Pt (deg C): 60.86 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.000334 (Modified Grain method)

VP (Pa, 25 deg C) : 0.0446 (Modified Grain method)

Subcooled liquid VP: 0.000721 mm Hg (25 deg C, Mod-Grain method)

: 0.0961 Pa (25 deg C, Mod-Grain method)

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

Water Solubility at 25 deg C (mg/L): 2.296

log Kow used: 4.81 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 1.7227 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Acrylates

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

Bond Method : 1.71E-005 atm-m3/mole (1.73E+000 Pa-m3/mole)

Group Method: 4.35E-006 atm-m3/mole (4.41E-001 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: 4.447E-005 atm-m3/mole (4.506E+000 Pa-m3/mole)

VP: 0.000334 mm Hg (source: MPBPVP)

WS: 2.3 mg/L (source: WSKOWWIN)

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

Log Kow used: 4.81 (KowWin est)

Log Kaw used: -3.155 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 7.965

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 1.0476

Biowin2 (Non-Linear Model) : 0.9994

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.1463 (weeks )

Biowin4 (Primary Survey Model) : 4.0155 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.6657

Biowin6 (MITI Non-Linear Model): 0.7483

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.3346

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): 0.0961 Pa (0.000721 mm Hg)

Log Koa (Koawin est ): 7.965

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

Mackay model : 3.12E-005

Octanol/air (Koa) model: 2.26E-005

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.00113

Mackay model : 0.00249

Octanol/air (Koa) model: 0.00181

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 28.9665 E-12 cm3/molecule-sec [Cis-isomer]

OVERALL OH Rate Constant = 31.6265 E-12 cm3/molecule-sec [Trans-isomer]

Half-Life = 4.431 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]

Half-Life = 4.058 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]

Ozone Reaction:

OVERALL Ozone Rate Constant = 1.050000 E-17 cm3/molecule-sec [Cis-]

OVERALL Ozone Rate Constant = 2.100000 E-17 cm3/molecule-sec [Trans-]

Half-Life = 1.091 Days (at 7E11 mol/cm3) [Cis-isomer]

Half-Life = 13.097 Hrs (at 7E11 mol/cm3) [Trans-isomer]

Fraction sorbed to airborne particulates (phi):

0.00181 (Junge-Pankow, Mackay avg)

0.00181 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 4396 L/kg (MCI method)

Log Koc: 3.643 (MCI method)

Koc : 3312 L/kg (Kow method)

Log Koc: 3.520 (Kow method)

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

Total Kb for pH > 8 at 25 deg C : 9.614E-003 L/mol-sec

Kb Half-Life at pH 8: 2.285 years

Kb Half-Life at pH 7: 22.845 years

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

Bioaccumulation Estimates (BCFBAF v3.00):

Log BCF from regression-based method = 2.842 (BCF = 695.5 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.5155 days (HL = 0.3052 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.103 (BCF = 126.7)

Log BAF Arnot-Gobas method (upper trophic) = 2.103 (BAF = 126.7)

log Kow used: 4.81 (estimated)

Volatilization from Water:

Henry LC: 4.35E-006 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 206.7 hours (8.613 days)

Half-Life from Model Lake : 2383 hours (99.28 days)

Removal In Wastewater Treatment:

Total removal: 70.81 percent

Total biodegradation: 0.63 percent

Total sludge adsorption: 70.12 percent

Total to Air: 0.06 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.612 6.62 1000

Water 23.5 360 1000

Soil 72.7 720 1000

Sediment 3.18 3.24e+003 0

Persistence Time: 477 hr

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