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CAS Number: 83783-86-2

SMILES : CC(C)=CCOC(=O)C(C)=CC

CHEM :

MOL FOR: C10 H16 O2

MOL WT : 168.24

------------------------------ EPI SUMMARY (v4.10) --------------------------

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) = 3.49

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

Boiling Pt (deg C): 212.06 (Adapted Stein & Brown method)

Melting Pt (deg C): -28.14 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.197 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 26.2 (Mean VP of Antoine & Grain methods)

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

Water Solubility at 25 deg C (mg/L): 65.16

log Kow used: 3.49 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 589.36 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Methacrylates

Vinyl/Allyl Esters

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

Bond Method : 7.32E-004 atm-m3/mole (7.42E+001 Pa-m3/mole)

Group Method: 5.73E-004 atm-m3/mole (5.81E+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: 6.693E-004 atm-m3/mole (6.781E+001 Pa-m3/mole)

VP: 0.197 mm Hg (source: MPBPVP)

WS: 65.2 mg/L (source: WSKOWWIN)

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

Log Kow used: 3.49 (KowWin est)

Log Kaw used: -1.524 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 5.014

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.8416

Biowin2 (Non-Linear Model) : 0.9910

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.9676 (weeks )

Biowin4 (Primary Survey Model) : 3.8340 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.6188

Biowin6 (MITI Non-Linear Model): 0.6636

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.5686

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): 24.1 Pa (0.181 mm Hg)

Log Koa (Koawin est ): 5.014

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

Mackay model : 1.24E-007

Octanol/air (Koa) model: 2.54E-008

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 4.49E-006

Mackay model : 9.94E-006

Octanol/air (Koa) model: 2.03E-006

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 119.3534 E-12 cm3/molecule-sec

Half-Life = 0.090 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 1.075 Hrs

Ozone Reaction:

OVERALL Ozone Rate Constant = 50.393749 E-17 cm3/molecule-sec

Half-Life = 0.023 Days (at 7E11 mol/cm3)

Half-Life = 32.747 Min

Fraction sorbed to airborne particulates (phi):

7.22E-006 (Junge-Pankow, Mackay avg)

2.03E-006 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 161.8 L/kg (MCI method)

Log Koc: 2.209 (MCI method)

Koc : 616.5 L/kg (Kow method)

Log Koc: 2.790 (Kow method)

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

Total Kb for pH > 8 at 25 deg C : 5.607E-003 L/mol-sec

Kb Half-Life at pH 8: 3.917 years

Kb Half-Life at pH 7: 39.173 years

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

Bioaccumulation Estimates (BCFBAF v3.01):

Log BCF from regression-based method = 1.972 (BCF = 93.72 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.4531 days (HL = 0.3523 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.009 (BCF = 102.1)

Log BAF Arnot-Gobas method (upper trophic) = 2.009 (BAF = 102.1)

log Kow used: 3.49 (estimated)

Volatilization from Water:

Henry LC: 0.000573 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 2.649 hours

Half-Life from Model Lake : 137.7 hours (5.736 days)

Removal In Wastewater Treatment:

Total removal: 29.31 percent

Total biodegradation: 0.15 percent

Total sludge adsorption: 11.47 percent

Total to Air: 17.69 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.128 0.435 1000

Water 26 360 1000

Soil 73.7 720 1000

Sediment 0.212 3.24e+003 0

Persistence Time: 284 hr

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