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CAS Number: 2358-84-1
SMILES : O=C(OCCOCCOC(=O)C(=C)C)C(=C)C
CHEM : 2-Propenoic acid, 2-methyl-, oxydi-2,1-ethanediyl ester
MOL FOR: C12 H18 O5
MOL WT : 242.27
------------------------------ 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) = 1.93
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 267.45 (Adapted Stein & Brown method)
Melting Pt (deg C): -30.10 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.0106 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 1.41 (Mean VP of Antoine & Grain methods)
BP (exp database): 120-125 @ 2 mm Hg deg C
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 581.5
log Kow used: 1.93 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 3819.8 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Methacrylates
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 5.88E-009 atm-m3/mole (5.96E-004 Pa-m3/mole)
Group Method: 7.92E-010 atm-m3/mole (8.02E-005 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: 5.811E-006 atm-m3/mole (5.888E-001 Pa-m3/mole)
VP: 0.0106 mm Hg (source: MPBPVP)
WS: 582 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 1.93 (KowWin est)
Log Kaw used: -6.619 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 8.549
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.6332
Biowin2 (Non-Linear Model) : 0.9866
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.9355 (weeks )
Biowin4 (Primary Survey Model) : 3.9464 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.9036
Biowin6 (MITI Non-Linear Model): 0.8991
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.5733
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): 1.44 Pa (0.0108 mm Hg)
Log Koa (Koawin est ): 8.549
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 2.08E-006
Octanol/air (Koa) model: 8.69E-005
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 7.52E-005
Mackay model : 0.000167
Octanol/air (Koa) model: 0.0069
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 53.9438 E-12 cm3/molecule-sec
Half-Life = 0.198 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 2.379 Hrs
Ozone Reaction:
OVERALL Ozone Rate Constant = 2.275000 E-17 cm3/molecule-sec
Half-Life = 0.504 Days (at 7E11 mol/cm3)
Half-Life = 12.090 Hrs
Fraction sorbed to airborne particulates (phi):
0.000121 (Junge-Pankow, Mackay avg)
0.0069 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 18.93 L/kg (MCI method)
Log Koc: 1.277 (MCI method)
Koc : 59 L/kg (Kow method)
Log Koc: 1.771 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Total Kb for pH > 8 at 25 deg C : 1.400E-002 L/mol-sec
Kb Half-Life at pH 8: 1.569 years
Kb Half-Life at pH 7: 15.688 years
(Total Kb applies only to esters, carbmates, alkyl halides)
Bioaccumulation Estimates (BCFBAF v3.01):
Log BCF from regression-based method = 0.943 (BCF = 8.776 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -2.1258 days (HL = 0.007486 days)
Log BCF Arnot-Gobas method (upper trophic) = 0.336 (BCF = 2.169)
Log BAF Arnot-Gobas method (upper trophic) = 0.336 (BAF = 2.169)
log Kow used: 1.93 (estimated)
Volatilization from Water:
Henry LC: 7.92E-010 atm-m3/mole (estimated by Group SAR Method)
Half-Life from Model River: 1.151E+006 hours (4.794E+004 days)
Half-Life from Model Lake : 1.255E+007 hours (5.23E+005 days)
Removal In Wastewater Treatment:
Total removal: 2.19 percent
Total biodegradation: 0.09 percent
Total sludge adsorption: 2.09 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 0.0155 3.41 1000
Water 27.3 360 1000
Soil 72.6 720 1000
Sediment 0.0716 3.24e+003 0
Persistence Time: 653 hr