This page contains the EPI System Summary only.
For complete control of this information -
Download the free EPI SuiteTM v4.0 program : here
also you can go back to the Datasheet
CAS Num: 065505-25-1
SMILES : O=C(OCC2CCCO2)C=Cc1ccccc1
CHEM : 2-Propenoic acid, 3-phenyl-, (tetrahydro-2-furanyl)methyl ester
MOL FOR: C14 H16 O3
MOL WT : 232.28
------------------------------ EPI SUMMARY (v4.00) --------------------------
Physical Property Inputs:
Water Solubility (mg/L): ------
Vapor Pressure (mm Hg) : ------
Henry LC (atm-m3/mole) : ------
Log Kow (octanol-water): ------
Boiling Point (deg C) : ------
Melting Point (deg C) : ------
Log Octanol-Water Partition Coef (SRC):
Log Kow (KOWWIN v1.67 estimate) = 2.88
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
Boiling Pt (deg C): 326.88 (Adapted Stein & Brown method)
Melting Pt (deg C): 76.36 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.000151 (Modified Grain method)
VP (Pa, 25 deg C) : 0.0201 (Modified Grain method)
Subcooled liquid VP: 0.000463 mm Hg (25 deg C, Mod-Grain method)
: 0.0617 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 102.9
log Kow used: 2.88 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 287.78 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Acrylates
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 6.29E-009 atm-m3/mole (6.38E-004 Pa-m3/mole)
Group Method: 6.29E-010 atm-m3/mole (6.37E-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: 4.485E-007 atm-m3/mole (4.544E-002 Pa-m3/mole)
VP: 0.000151 mm Hg (source: MPBPVP)
WS: 103 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 2.88 (KowWin est)
Log Kaw used: -6.590 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 9.470
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.5919
Biowin2 (Non-Linear Model) : 0.8966
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.8394 (weeks )
Biowin4 (Primary Survey Model) : 3.7367 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.5408
Biowin6 (MITI Non-Linear Model): 0.4567
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.0501
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): 0.0617 Pa (0.000463 mm Hg)
Log Koa (Koawin est ): 9.470
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 4.86E-005
Octanol/air (Koa) model: 0.000724
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.00175
Mackay model : 0.00387
Octanol/air (Koa) model: 0.0548
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 42.8323 E-12 cm3/molecule-sec [Cis-isomer]
OVERALL OH Rate Constant = 45.4923 E-12 cm3/molecule-sec [Trans-isomer]
Half-Life = 2.997 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
Half-Life = 2.821 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]
Ozone Reaction:
OVERALL Ozone Rate Constant = 1.050000 E-17 cm3/molecule-sec [Cis-]
OVERALL Ozone Rate Constant = 2.100000 E-17 cm3/molecule-sec [Trans-]
Half-Life = 1.091 Days (at 7E11 mol/cm3) [Cis-isomer]
Half-Life = 13.097 Hrs (at 7E11 mol/cm3) [Trans-isomer]
Fraction sorbed to airborne particulates (phi):
0.00281 (Junge-Pankow, Mackay avg)
0.0548 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 603.4 L/kg (MCI method)
Log Koc: 2.781 (MCI method)
Koc : 230.1 L/kg (Kow method)
Log Koc: 2.362 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Total Kb for pH > 8 at 25 deg C : 2.468E-002 L/mol-sec
Kb Half-Life at pH 8: 325.074 days
Kb Half-Life at pH 7: 8.900 years
(Total Kb applies only to esters, carbmates, alkyl halides)
Bioaccumulation Estimates (BCFBAF v3.00):
Log BCF from regression-based method = 1.566 (BCF = 36.86 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -1.2075 days (HL = 0.06202 days)
Log BCF Arnot-Gobas method (upper trophic) = 1.280 (BCF = 19.06)
Log BAF Arnot-Gobas method (upper trophic) = 1.280 (BAF = 19.06)
log Kow used: 2.88 (estimated)
Volatilization from Water:
Henry LC: 6.29E-009 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 1.419E+005 hours (5911 days)
Half-Life from Model Lake : 1.548E+006 hours (6.449E+004 days)
Removal In Wastewater Treatment:
Total removal: 4.79 percent
Total biodegradation: 0.12 percent
Total sludge adsorption: 4.67 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 0.0889 4.88 1000
Water 18.2 360 1000
Soil 81.3 720 1000
Sediment 0.417 3.24e+003 0
Persistence Time: 690 hr