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CAS Number: 53890-24-7

SMILES : O=C(OC(c1cc(OC)c(OC(=O)C)cc1)C=C)C

CHEM :

MOL FOR: C14 H16 O5

MOL WT : 264.28

------------------------------ 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) = 2.53

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

Boiling Pt (deg C): 316.79 (Adapted Stein & Brown method)

Melting Pt (deg C): 28.64 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.000739 (Modified Grain method)

VP (Pa, 25 deg C) : 0.0986 (Modified Grain method)

Subcooled liquid VP: 0.000797 mm Hg (25 deg C, Mod-Grain method)

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

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

Water Solubility at 25 deg C (mg/L): 135.7

log Kow used: 2.53 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 114.15 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Esters

Vinyl/Allyl Esters

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

Bond Method : 1.32E-008 atm-m3/mole (1.34E-003 Pa-m3/mole)

Group Method: Incomplete

For Henry LC Comparison Purposes:

User-Entered Henry LC: not entered

Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:

HLC: 1.894E-006 atm-m3/mole (1.919E-001 Pa-m3/mole)

VP: 0.000739 mm Hg (source: MPBPVP)

WS: 136 mg/L (source: WSKOWWIN)

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

Log Kow used: 2.53 (KowWin est)

Log Kaw used: -6.268 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 8.798

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 1.1020

Biowin2 (Non-Linear Model) : 0.9999

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.8374 (weeks )

Biowin4 (Primary Survey Model) : 4.0015 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.8433

Biowin6 (MITI Non-Linear Model): 0.8674

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.6453

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): 0.106 Pa (0.000797 mm Hg)

Log Koa (Koawin est ): 8.798

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

Mackay model : 2.82E-005

Octanol/air (Koa) model: 0.000154

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.00102

Mackay model : 0.00225

Octanol/air (Koa) model: 0.0122

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 67.7910 E-12 cm3/molecule-sec

Half-Life = 0.158 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 1.893 Hrs

Ozone Reaction:

OVERALL Ozone Rate Constant = 1.200000 E-17 cm3/molecule-sec

Half-Life = 0.955 Days (at 7E11 mol/cm3)

Half-Life = 22.920 Hrs

Fraction sorbed to airborne particulates (phi):

0.00164 (Junge-Pankow, Mackay avg)

0.0122 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 101 L/kg (MCI method)

Log Koc: 2.004 (MCI method)

Koc : 177.5 L/kg (Kow method)

Log Koc: 2.249 (Kow method)

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

Total Kb for pH > 8 at 25 deg C : 1.485E+000 L/mol-sec

Kb Half-Life at pH 8: 5.401 days

Kb Half-Life at pH 7: 54.010 days

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

Bioaccumulation Estimates (BCFBAF v3.01):

Log BCF from regression-based method = 1.337 (BCF = 21.72 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -2.0870 days (HL = 0.008184 days)

Log BCF Arnot-Gobas method (upper trophic) = 0.570 (BCF = 3.711)

Log BAF Arnot-Gobas method (upper trophic) = 0.570 (BAF = 3.711)

log Kow used: 2.53 (estimated)

Volatilization from Water:

Henry LC: 1.32E-008 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 7.211E+004 hours (3004 days)

Half-Life from Model Lake : 7.868E+005 hours (3.278E+004 days)

Removal In Wastewater Treatment:

Total removal: 3.18 percent

Total biodegradation: 0.10 percent

Total sludge adsorption: 3.08 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 0.14 3.25 1000

Water 22.9 360 1000

Soil 76.8 720 1000

Sediment 0.135 3.24e+003 0

Persistence Time: 580 hr

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