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CAS Number: 3290-92-4
SMILES : O=C(OCC(CC)(COC(=O)C(=C)C)COC(=O)C(=C)C)C(=C)C
CHEM : 2-Propenoic acid, 2-methyl-, 2-ethyl-2- (2-methyl-1-oxo-2-propenyl)o
xy methyl -1,3-propanediyl ester
MOL FOR: C18 H26 O6
MOL WT : 338.40
------------------------------ EPI SUMMARY (v4.10) --------------------------
Henry LC (atm-m3/mole) : ------
Log Kow (octanol-water): ------
Boiling Point (deg C) : ------
Water Solubility (mg/L): ------
Physical Property Inputs:
Vapor Pressure (mm Hg) : ------
Melting Point (deg C) : ------
Log Octanol-Water Partition Coef (SRC):
Log Kow (KOWWIN v1.68 estimate) = 4.50
Log Kow (Exper. database match) = 4.39
Exper. Ref: CHEMICALS INSPECTION AND TESTING INSTITU (1992)
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 349.26 (Adapted Stein & Brown method)
Melting Pt (deg C): -8.53 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.000137 (Modified Grain method)
VP (Pa, 25 deg C) : 0.0183 (Modified Grain method)
MP (exp database): <-10 deg C
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 1.297
log Kow used: 4.39 (expkow database)
no-melting pt equation used
Water Sol (Exper. database match) = 13 mg/L (25 deg C)
Exper. Ref: CHEMICALS INSPECTION AND TESTING INSTITU (1992)
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 9.2245 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Methacrylates
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 2.31E-009 atm-m3/mole (2.34E-004 Pa-m3/mole)
Group Method: 1.65E-009 atm-m3/mole (1.68E-004 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: 4.703E-005 atm-m3/mole (4.766E+000 Pa-m3/mole)
VP: 0.000137 mm Hg (source: MPBPVP)
WS: 1.3 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 4.39 (exp database)
Log Kaw used: -7.025 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 11.415
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.9251
Biowin2 (Non-Linear Model) : 0.9998
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.6599 (weeks-months)
Biowin4 (Primary Survey Model) : 3.8929 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 1.0407
Biowin6 (MITI Non-Linear Model): 0.9213
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.3619
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): 0.0183 Pa (0.000137 mm Hg)
Log Koa (Koawin est ): 11.415
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 0.000164
Octanol/air (Koa) model: 0.0638
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.0059
Mackay model : 0.013
Octanol/air (Koa) model: 0.836
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 61.2084 E-12 cm3/molecule-sec
Half-Life = 0.175 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 2.097 Hrs
Ozone Reaction:
OVERALL Ozone Rate Constant = 3.412500 E-17 cm3/molecule-sec
Half-Life = 0.336 Days (at 7E11 mol/cm3)
Half-Life = 8.060 Hrs
Fraction sorbed to airborne particulates (phi):
0.00943 (Junge-Pankow, Mackay avg)
0.836 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 5784 L/kg (MCI method)
Log Koc: 3.762 (MCI method)
Koc : 1668 L/kg (Kow method)
Log Koc: 3.222 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Total Kb for pH > 8 at 25 deg C : 3.189E-003 L/mol-sec
Kb Half-Life at pH 8: 6.888 years
Kb Half-Life at pH 7: 68.876 years
(Total Kb applies only to esters, carbmates, alkyl halides)
Bioaccumulation Estimates (BCFBAF v3.01):
Log BCF from regression-based method = 2.564 (BCF = 366 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -1.9654 days (HL = 0.01083 days)
Log BCF Arnot-Gobas method (upper trophic) = 1.100 (BCF = 12.59)
Log BAF Arnot-Gobas method (upper trophic) = 1.100 (BAF = 12.59)
log Kow used: 4.39 (expkow database)
Volatilization from Water:
Henry LC: 1.65E-009 atm-m3/mole (estimated by Group SAR Method)
Half-Life from Model River: 6.527E+005 hours (2.72E+004 days)
Half-Life from Model Lake : 7.121E+006 hours (2.967E+005 days)
Removal In Wastewater Treatment:
Total removal: 50.14 percent
Total biodegradation: 0.48 percent
Total sludge adsorption: 49.66 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 0.0107 2.76 1000
Water 11.3 900 1000
Soil 84.9 1.8e+003 1000
Sediment 3.77 8.1e+003 0
Persistence Time: 1.79e+003 hr