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CAS Number: 9011-15-8

SMILES : CCCCOC(=O)C(=C)C

CHEM :

MOL FOR: C8 H14 O2

MOL WT : 142.20

------------------------------ 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) = 2.75

Log Kow (Exper. database match) = 2.88

Exper. Ref: HANSCH,C ET AL. (1995)

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

Boiling Pt (deg C): 162.62 (Adapted Stein & Brown method)

Melting Pt (deg C): -42.67 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 2.51 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 335 (Mean VP of Antoine & Grain methods)

MP (exp database): -75 deg C

BP (exp database): 160 deg C

VP (exp database): 2.12E+00 mm Hg (2.83E+002 Pa) at 25 deg C

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

Water Solubility at 25 deg C (mg/L): 284.6

log Kow used: 2.88 (expkow database)

no-melting pt equation used

Water Sol (Exper. database match) = 800 mg/L (25 deg C)

Exper. Ref: ULLMANN'S ENCYCL; A21:159

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 759.95 mg/L

ECOSAR Class Program (ECOSAR v1.11):

Class(es) found:

Methacrylates

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

Bond Method : 3.39E-004 atm-m3/mole (3.44E+001 Pa-m3/mole)

Group Method: 7.92E-004 atm-m3/mole (8.02E+001 Pa-m3/mole)

Exper Database: 4.96E-04 atm-m3/mole (5.03E+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: 1.650E-003 atm-m3/mole (1.672E+002 Pa-m3/mole)

VP: 2.51 mm Hg (source: MPBPVP)

WS: 285 mg/L (source: WSKOWWIN)

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

Log Kow used: 2.88 (exp database)

Log Kaw used: -1.693 (exp database)

Log Koa (KOAWIN v1.10 estimate): 4.573

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.9625

Biowin2 (Non-Linear Model) : 0.9990

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.3235 (days-weeks )

Biowin4 (Primary Survey Model) : 4.1406 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.7943

Biowin6 (MITI Non-Linear Model): 0.9047

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.4620

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): 283 Pa (2.12 mm Hg)

Log Koa (Koawin est ): 4.573

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

Mackay model : 1.06E-008

Octanol/air (Koa) model: 9.18E-009

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 3.83E-007

Mackay model : 8.49E-007

Octanol/air (Koa) model: 7.35E-007

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 22.6933 E-12 cm3/molecule-sec

Half-Life = 0.471 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 5.656 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):

6.16E-007 (Junge-Pankow, Mackay avg)

7.35E-007 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 55.32 L/kg (MCI method)

Log Koc: 1.743 (MCI method)

Koc : 283.5 L/kg (Kow method)

Log Koc: 2.453 (Kow method)

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

Total Kb for pH > 8 at 25 deg C : 2.727E-003 L/mol-sec

Kb Half-Life at pH 8: 8.054 years

Kb Half-Life at pH 7: 80.536 years

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

Bioaccumulation Estimates (BCFBAF v3.01):

Log BCF from regression-based method = 1.567 (BCF = 36.92 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.9825 days (HL = 0.1041 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.437 (BCF = 27.38)

Log BAF Arnot-Gobas method (upper trophic) = 1.437 (BAF = 27.38)

log Kow used: 2.88 (expkow database)

Volatilization from Water:

Henry LC: 0.000496 atm-m3/mole (Henry experimental database)

Half-Life from Model River: 2.624 hours

Half-Life from Model Lake : 128.6 hours (5.359 days)

Removal In Wastewater Treatment:

Total removal: 21.68 percent

Total biodegradation: 0.10 percent

Total sludge adsorption: 4.18 percent

Total to Air: 17.39 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 3.29 7.71 1000

Water 33.9 208 1000

Soil 62.7 416 1000

Sediment 0.124 1.87e+003 0

Persistence Time: 172 hr

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