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CAS Num: 007493-74-5
SMILES : O=C(OCC=C)COc(cccc1)c1
CHEM : Acetic acid, phenoxy-, 2-propenyl ester
MOL FOR: C11 H12 O3
MOL WT : 192.22
------------------------------ 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) = 2.46
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
Boiling Pt (deg C): 268.49 (Adapted Stein & Brown method)
Melting Pt (deg C): 36.45 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.00807 (Modified Grain method)
VP (Pa, 25 deg C) : 1.08 (Modified Grain method)
Subcooled liquid VP: 0.0102 mm Hg (25 deg C, Mod-Grain method)
: 1.36 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 379.6
log Kow used: 2.46 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 147.89 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 : 7.05E-006 atm-m3/mole (7.15E-001 Pa-m3/mole)
Group Method: 4.15E-005 atm-m3/mole (4.21E+000 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: 5.377E-006 atm-m3/mole (5.448E-001 Pa-m3/mole)
VP: 0.00807 mm Hg (source: MPBPVP)
WS: 380 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 2.46 (KowWin est)
Log Kaw used: -3.540 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 6.000
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 1.0902
Biowin2 (Non-Linear Model) : 0.9998
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.8785 (weeks )
Biowin4 (Primary Survey Model) : 3.8814 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.8378
Biowin6 (MITI Non-Linear Model): 0.9081
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.7584
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): 1.36 Pa (0.0102 mm Hg)
Log Koa (Koawin est ): 6.000
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 2.21E-006
Octanol/air (Koa) model: 2.45E-007
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 7.97E-005
Mackay model : 0.000176
Octanol/air (Koa) model: 1.96E-005
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 51.0646 E-12 cm3/molecule-sec
Half-Life = 0.209 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 2.514 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):
0.000128 (Junge-Pankow, Mackay avg)
1.96E-005 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 152.1 L/kg (MCI method)
Log Koc: 2.182 (MCI method)
Koc : 188.9 L/kg (Kow method)
Log Koc: 2.276 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Total Kb for pH > 8 at 25 deg C : 1.206E+001 L/mol-sec
Kb Half-Life at pH 8: 15.959 hours
Kb Half-Life at pH 7: 6.649 days
(Total Kb applies only to esters, carbmates, alkyl halides)
Bioaccumulation Estimates (BCFBAF v3.00):
Log BCF from regression-based method = 1.290 (BCF = 19.51 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -1.4579 days (HL = 0.03484 days)
Log BCF Arnot-Gobas method (upper trophic) = 0.956 (BCF = 9.042)
Log BAF Arnot-Gobas method (upper trophic) = 0.956 (BAF = 9.042)
log Kow used: 2.46 (estimated)
Volatilization from Water:
Henry LC: 7.05E-006 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 116.6 hours (4.856 days)
Half-Life from Model Lake : 1388 hours (57.82 days)
Removal In Wastewater Treatment:
Total removal: 3.37 percent
Total biodegradation: 0.10 percent
Total sludge adsorption: 2.88 percent
Total to Air: 0.39 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.441 4.12 1000
Water 26.9 360 1000
Soil 72.5 720 1000
Sediment 0.209 3.24e+003 0
Persistence Time: 441 hr