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CAS Num: 053082-57-8
SMILES : CCCOC(=O)C(C)=CC
CHEM :
MOL FOR: C8 H14 O2
MOL WT : 142.20
------------------------------ 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) = 2.67
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
Boiling Pt (deg C): 170.80 (Adapted Stein & Brown method)
Melting Pt (deg C): -41.94 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 1.5 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 201 (Mean VP of Antoine & Grain methods)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 430.2
log Kow used: 2.67 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 1624.8 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Methacrylates
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 4.00E-004 atm-m3/mole (4.05E+001 Pa-m3/mole)
Group Method: 5.48E-004 atm-m3/mole (5.55E+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: 6.524E-004 atm-m3/mole (6.610E+001 Pa-m3/mole)
VP: 1.5 mm Hg (source: MPBPVP)
WS: 430 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 2.67 (KowWin est)
Log Kaw used: -1.786 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 4.456
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.8540
Biowin2 (Non-Linear Model) : 0.9938
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 3.0251 (weeks )
Biowin4 (Primary Survey Model) : 3.8715 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.7391
Biowin6 (MITI Non-Linear Model): 0.8597
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.7477
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): 183 Pa (1.37 mm Hg)
Log Koa (Koawin est ): 4.456
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 1.64E-008
Octanol/air (Koa) model: 7.01E-009
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 5.93E-007
Mackay model : 1.31E-006
Octanol/air (Koa) model: 5.61E-007
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 33.8412 E-12 cm3/molecule-sec
Half-Life = 0.316 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 3.793 Hrs
Ozone Reaction:
OVERALL Ozone Rate Constant = 7.393750 E-17 cm3/molecule-sec
Half-Life = 0.155 Days (at 7E11 mol/cm3)
Half-Life = 3.720 Hrs
Fraction sorbed to airborne particulates (phi):
9.54E-007 (Junge-Pankow, Mackay avg)
5.61E-007 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 57.91 L/kg (MCI method)
Log Koc: 1.763 (MCI method)
Koc : 217 L/kg (Kow method)
Log Koc: 2.336 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Total Kb for pH > 8 at 25 deg C : 1.658E-003 L/mol-sec
Kb Half-Life at pH 8: 13.243 years
Kb Half-Life at pH 7: 132.432 years
(Total Kb applies only to esters, carbmates, alkyl halides)
Bioaccumulation Estimates (BCFBAF v3.00):
Log BCF from regression-based method = 1.429 (BCF = 26.82 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -0.9592 days (HL = 0.1099 days)
Log BCF Arnot-Gobas method (upper trophic) = 1.356 (BCF = 22.7)
Log BAF Arnot-Gobas method (upper trophic) = 1.356 (BAF = 22.7)
log Kow used: 2.67 (estimated)
Volatilization from Water:
Henry LC: 0.000548 atm-m3/mole (estimated by Group SAR Method)
Half-Life from Model River: 2.491 hours
Half-Life from Model Lake : 127.2 hours (5.298 days)
Removal In Wastewater Treatment:
Total removal: 22.17 percent
Total biodegradation: 0.09 percent
Total sludge adsorption: 3.14 percent
Total to Air: 18.95 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 1.05 2.5 1000
Water 35.5 360 1000
Soil 63.3 720 1000
Sediment 0.149 3.24e+003 0
Persistence Time: 214 hr