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CAS Num: 010521-96-7
SMILES : O=C(OC=Cc(cccc1)c1)C
CHEM : Ethenol, 2-phenyl-, acetate
MOL FOR: C10 H10 O2
MOL WT : 162.19
------------------------------ 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) = 2.36
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
Boiling Pt (deg C): 239.90 (Adapted Stein & Brown method)
Melting Pt (deg C): 9.69 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.0465 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 6.2 (Mean VP of Antoine & Grain methods)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 649.2
log Kow used: 2.36 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 582.43 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 : 5.22E-005 atm-m3/mole (5.29E+000 Pa-m3/mole)
Group Method: 5.23E-006 atm-m3/mole (5.30E-001 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: 1.529E-005 atm-m3/mole (1.549E+000 Pa-m3/mole)
VP: 0.0465 mm Hg (source: MPBPVP)
WS: 649 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 2.36 (KowWin est)
Log Kaw used: -2.671 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 5.031
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.9726
Biowin2 (Non-Linear Model) : 0.9986
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 3.0030 (weeks )
Biowin4 (Primary Survey Model) : 3.8476 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.6272
Biowin6 (MITI Non-Linear Model): 0.7245
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.5223
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): 5.95 Pa (0.0446 mm Hg)
Log Koa (Koawin est ): 5.031
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 5.04E-007
Octanol/air (Koa) model: 2.64E-008
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 1.82E-005
Mackay model : 4.04E-005
Octanol/air (Koa) model: 2.11E-006
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 58.2753 E-12 cm3/molecule-sec [Cis-isomer]
OVERALL OH Rate Constant = 65.8753 E-12 cm3/molecule-sec [Trans-isomer]
Half-Life = 2.203 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
Half-Life = 1.948 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):
2.93E-005 (Junge-Pankow, Mackay avg)
2.11E-006 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 208.9 L/kg (MCI method)
Log Koc: 2.320 (MCI method)
Koc : 146.2 L/kg (Kow method)
Log Koc: 2.165 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Total Kb for pH > 8 at 25 deg C : 2.542E-001 L/mol-sec
Kb Half-Life at pH 8: 31.556 days
Kb Half-Life at pH 7: 315.560 days
(Total Kb applies only to esters, carbmates, alkyl halides)
Bioaccumulation Estimates (BCFBAF v3.00):
Log BCF from regression-based method = 1.222 (BCF = 16.68 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -1.2453 days (HL = 0.05684 days)
Log BCF Arnot-Gobas method (upper trophic) = 1.036 (BCF = 10.86)
Log BAF Arnot-Gobas method (upper trophic) = 1.036 (BAF = 10.86)
log Kow used: 2.36 (estimated)
Volatilization from Water:
Henry LC: 5.23E-006 atm-m3/mole (estimated by Group SAR Method)
Half-Life from Model River: 143.9 hours (5.995 days)
Half-Life from Model Lake : 1676 hours (69.84 days)
Removal In Wastewater Treatment:
Total removal: 3.04 percent
Total biodegradation: 0.10 percent
Total sludge adsorption: 2.65 percent
Total to Air: 0.29 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.395 3.77 1000
Water 26.3 360 1000
Soil 73.1 720 1000
Sediment 0.259 3.24e+003 0
Persistence Time: 447 hr