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CAS Number: 24615-84-7

SMILES : O=C(OCCC(=O)O)C=C

CHEM : 2-Propenoic acid, 2-carboxyethyl ester

MOL FOR: C6 H8 O4

MOL WT : 144.13

------------------------------ 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) = 0.47

Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):

Boiling Pt (deg C): 248.26 (Adapted Stein & Brown method)

Melting Pt (deg C): 49.33 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.0174 (Modified Grain method)

VP (Pa, 25 deg C) : 2.32 (Modified Grain method)

Subcooled liquid VP: 0.0291 mm Hg (25 deg C, Mod-Grain method)

: 3.88 Pa (25 deg C, Mod-Grain method)

Water Solubility Estimate from Log Kow (WSKOW v1.42):

Water Solubility at 25 deg C (mg/L): 7.877e+004

log Kow used: 0.47 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 1.7659e+005 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Acrylates-acid

Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:

Bond Method : 9.13E-010 atm-m3/mole (9.25E-005 Pa-m3/mole)

Group Method: 6.14E-011 atm-m3/mole (6.23E-006 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: 4.189E-008 atm-m3/mole (4.245E-003 Pa-m3/mole)

VP: 0.0174 mm Hg (source: MPBPVP)

WS: 7.88E+004 mg/L (source: WSKOWWIN)

Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:

Log Kow used: 0.47 (KowWin est)

Log Kaw used: -7.428 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 7.898

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.9258

Biowin2 (Non-Linear Model) : 0.9966

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.3855 (days-weeks )

Biowin4 (Primary Survey Model) : 4.2543 (hours-days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.9257

Biowin6 (MITI Non-Linear Model): 0.9474

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 1.0261

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): 3.88 Pa (0.0291 mm Hg)

Log Koa (Koawin est ): 7.898

Kp (particle/gas partition coef. (m3/ug)):

Mackay model : 7.73E-007

Octanol/air (Koa) model: 1.94E-005

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 2.79E-005

Mackay model : 6.19E-005

Octanol/air (Koa) model: 0.00155

Atmospheric Oxidation (25 deg C) [AopWin v1.92]:

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 12.4247 E-12 cm3/molecule-sec

Half-Life = 0.861 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 10.330 Hrs

Ozone Reaction:

OVERALL Ozone Rate Constant = 0.175000 E-17 cm3/molecule-sec

Half-Life = 6.549 Days (at 7E11 mol/cm3)

Fraction sorbed to airborne particulates (phi):

4.49E-005 (Junge-Pankow, Mackay avg)

0.00155 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 10 L/kg (MCI method)

Log Koc: 1.000 (MCI method)

Koc : 2.239 L/kg (Kow method)

Log Koc: 0.350 (Kow method)

Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:

Total Kb for pH > 8 at 25 deg C : 8.251E-002 L/mol-sec

Kb Half-Life at pH 8: 97.226 days

Kb Half-Life at pH 7: 2.662 years

(Total Kb applies only to esters, carbmates, alkyl halides)

Bioaccumulation Estimates (BCFBAF v3.01):

Log BCF from regression-based method = 0.500 (BCF = 3.162 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -1.7965 days (HL = 0.01598 days)

Log BCF Arnot-Gobas method (upper trophic) = 0.006 (BCF = 1.015)

Log BAF Arnot-Gobas method (upper trophic) = 0.006 (BAF = 1.015)

log Kow used: 0.47 (estimated)

Volatilization from Water:

Henry LC: 6.14E-011 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 1.145E+007 hours (4.77E+005 days)

Half-Life from Model Lake : 1.249E+008 hours (5.204E+006 days)

Removal In Wastewater Treatment:

Total removal: 1.86 percent

Total biodegradation: 0.09 percent

Total sludge adsorption: 1.77 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 0.00202 18.3 1000

Water 28.1 208 1000

Soil 71.8 416 1000

Sediment 0.0592 1.87e+003 0

Persistence Time: 414 hr

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