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CAS Num: 000532-08-1
SMILES : C=CCc1cc(OC)c(OC(=O)C=Cc2ccccc2)cc1
CHEM :
MOL FOR: C19 H18 O3
MOL WT : 294.35
------------------------------ 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) = 5.05
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
Boiling Pt (deg C): 392.80 (Adapted Stein & Brown method)
Melting Pt (deg C): 132.57 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 1.04E-006 (Modified Grain method)
VP (Pa, 25 deg C) : 0.000138 (Modified Grain method)
Subcooled liquid VP: 1.24E-005 mm Hg (25 deg C, Mod-Grain method)
: 0.00166 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 0.6475
log Kow used: 5.05 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 0.16372 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Acrylates
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 1.31E-007 atm-m3/mole (1.33E-002 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: 6.221E-007 atm-m3/mole (6.303E-002 Pa-m3/mole)
VP: 1.04E-006 mm Hg (source: MPBPVP)
WS: 0.647 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 5.05 (KowWin est)
Log Kaw used: -5.271 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 10.321
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 1.0963
Biowin2 (Non-Linear Model) : 0.9995
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.5779 (weeks-months)
Biowin4 (Primary Survey Model) : 3.6655 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.4168
Biowin6 (MITI Non-Linear Model): 0.2307
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.0717
Ready Biodegradability Prediction: NO
Hydrocarbon Biodegradation (BioHCwin v1.01):
Structure incompatible with current estimation method!
Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
Vapor pressure (liquid/subcooled): 0.00165 Pa (1.24E-005 mm Hg)
Log Koa (Koawin est ): 10.321
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 0.00181
Octanol/air (Koa) model: 0.00514
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.0615
Mackay model : 0.127
Octanol/air (Koa) model: 0.291
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 88.8850 E-12 cm3/molecule-sec [Cis-isomer]
OVERALL OH Rate Constant = 91.5450 E-12 cm3/molecule-sec [Trans-isomer]
Half-Life = 1.444 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
Half-Life = 1.402 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]
Ozone Reaction:
OVERALL Ozone Rate Constant = 2.250000 E-17 cm3/molecule-sec [Cis-]
OVERALL Ozone Rate Constant = 3.300000 E-17 cm3/molecule-sec [Trans-]
Half-Life = 12.224 Hrs (at 7E11 mol/cm3) [Cis-isomer]
Half-Life = 8.335 Hrs (at 7E11 mol/cm3) [Trans-isomer]
Fraction sorbed to airborne particulates (phi):
0.0941 (Junge-Pankow, Mackay avg)
0.291 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 1.637E+004 L/kg (MCI method)
Log Koc: 4.214 (MCI method)
Koc : 5114 L/kg (Kow method)
Log Koc: 3.709 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Total Kb for pH > 8 at 25 deg C : 1.832E-001 L/mol-sec
Kb Half-Life at pH 8: 43.791 days
Kb Half-Life at pH 7: 1.199 years
(Total Kb applies only to esters, carbmates, alkyl halides)
Bioaccumulation Estimates (BCFBAF v3.00):
Log BCF from regression-based method = 2.997 (BCF = 994.2 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -0.3172 days (HL = 0.4818 days)
Log BCF Arnot-Gobas method (upper trophic) = 2.295 (BCF = 197.4)
Log BAF Arnot-Gobas method (upper trophic) = 2.296 (BAF = 197.7)
log Kow used: 5.05 (estimated)
Volatilization from Water:
Henry LC: 1.31E-007 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 7670 hours (319.6 days)
Half-Life from Model Lake : 8.381E+004 hours (3492 days)
Removal In Wastewater Treatment:
Total removal: 79.23 percent
Total biodegradation: 0.69 percent
Total sludge adsorption: 78.54 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 0.0806 2.34 1000
Water 14.2 900 1000
Soil 72.3 1.8e+003 1000
Sediment 13.4 8.1e+003 0
Persistence Time: 1.26e+003 hr