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CAS Number: 109-16-0
SMILES : O=C(OCCOCCOCCOC(=O)C(=C)C)C(=C)C
CHEM : 2-Propenoic acid, 2-methyl-, 1,2-ethanediylbis(oxy-2,1-ethanediyl) es
ter
MOL FOR: C14 H22 O6
MOL WT : 286.33
------------------------------ 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) = 1.66
Log Kow (Exper. database match) = 1.88
Exper. Ref: SANGSTER (1993)
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 313.63 (Adapted Stein & Brown method)
Melting Pt (deg C): 5.76 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.000944 (Modified Grain method)
VP (Pa, 25 deg C) : 0.126 (Modified Grain method)
BP (exp database): 170-172 @ 5 mm Hg deg C
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 365.5
log Kow used: 1.88 (expkow database)
no-melting pt equation used
Water Sol (Exper. database match) = 3600 mg/L (37 deg C)
Exper. Ref: EPA
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 7163.9 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Methacrylates
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 9.14E-011 atm-m3/mole (9.26E-006 Pa-m3/mole)
Group Method: 1.69E-012 atm-m3/mole (1.71E-007 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: 9.731E-007 atm-m3/mole (9.859E-002 Pa-m3/mole)
VP: 0.000944 mm Hg (source: MPBPVP)
WS: 366 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 1.88 (exp database)
Log Kaw used: -8.428 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 10.308
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.2649
Biowin2 (Non-Linear Model) : 0.5605
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.8295 (weeks )
Biowin4 (Primary Survey Model) : 3.8731 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.8728
Biowin6 (MITI Non-Linear Model): 0.8413
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.3680
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): 0.126 Pa (0.000944 mm Hg)
Log Koa (Koawin est ): 10.308
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 2.38E-005
Octanol/air (Koa) model: 0.00499
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.00086
Mackay model : 0.0019
Octanol/air (Koa) model: 0.285
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 67.9594 E-12 cm3/molecule-sec
Half-Life = 0.157 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 1.889 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):
0.00138 (Junge-Pankow, Mackay avg)
0.285 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 15.4 L/kg (MCI method)
Log Koc: 1.188 (MCI method)
Koc : 44.94 L/kg (Kow method)
Log Koc: 1.653 (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 = 0.907 (BCF = 8.08 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -2.2303 days (HL = 0.005884 days)
Log BCF Arnot-Gobas method (upper trophic) = 0.301 (BCF = 1.998)
Log BAF Arnot-Gobas method (upper trophic) = 0.301 (BAF = 1.998)
log Kow used: 1.88 (expkow database)
Volatilization from Water:
Henry LC: 1.69E-012 atm-m3/mole (estimated by Group SAR Method)
Half-Life from Model River: 5.862E+008 hours (2.443E+007 days)
Half-Life from Model Lake : 6.395E+009 hours (2.665E+008 days)
Removal In Wastewater Treatment:
Total removal: 2.15 percent
Total biodegradation: 0.09 percent
Total sludge adsorption: 2.05 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 3.49e-005 2.88 1000
Water 28.1 360 1000
Soil 71.8 720 1000
Sediment 0.0697 3.24e+003 0
Persistence Time: 660 hr