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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

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