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CAS Number: 80844-07-1
SMILES : c1cc(OCC)ccc1C(C)(C)COCc2cc(Oc3ccccc3)ccc2
CHEM : Etofenprox
MOL FOR: C25 H28 O3
MOL WT : 376.50
------------------------------ EPI SUMMARY (v4.11) --------------------------
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) = 7.47
Log Kow (Exper. database match) = 7.05
Exper. Ref: TOMLIN,C (1994)
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 460.59 (Adapted Stein & Brown method)
Melting Pt (deg C): 178.57 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 2.09E-007 (Modified Grain method)
VP (Pa, 25 deg C) : 2.79E-005 (Modified Grain method)
MP (exp database): 37 deg C
BP (exp database): 200 @ 0.18 mm Hg deg C
Subcooled liquid VP: 2.68E-007 mm Hg (25 deg C, Mod-Grain method)
: 3.57E-005 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 0.004075
log Kow used: 7.05 (expkow database)
no-melting pt equation used
Water Sol (Exper. database match) = 0.001 mg/L (25 deg C)
Exper. Ref: TOMLIN,C (1997); < 1ug/L
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 0.0024968 mg/L
ECOSAR Class Program (ECOSAR v1.11):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 2.26E-008 atm-m3/mole (2.29E-003 Pa-m3/mole)
Group Method: 1.38E-008 atm-m3/mole (1.39E-003 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: 2.541E-005 atm-m3/mole (2.574E+000 Pa-m3/mole)
VP: 2.09E-007 mm Hg (source: MPBPVP)
WS: 0.00407 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 7.05 (exp database)
Log Kaw used: -6.034 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 13.084
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.4289
Biowin2 (Non-Linear Model) : 0.2325
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.0521 (months )
Biowin4 (Primary Survey Model) : 3.3005 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.2028
Biowin6 (MITI Non-Linear Model): 0.0451
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -0.6158
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): 3.57E-005 Pa (2.68E-007 mm Hg)
Log Koa (Koawin est ): 13.084
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 0.084
Octanol/air (Koa) model: 2.98
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.752
Mackay model : 0.87
Octanol/air (Koa) model: 0.996
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 62.1576 E-12 cm3/molecule-sec
Half-Life = 0.172 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 2.065 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
0.811 (Junge-Pankow, Mackay avg)
0.996 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 2.763E+005 L/kg (MCI method)
Log Koc: 5.441 (MCI method)
Koc : 7.013E+004 L/kg (Kow method)
Log Koc: 4.846 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Rate constants can NOT be estimated for this structure!
Bioaccumulation Estimates (BCFBAF v3.01):
Log BCF from regression-based method = 4.099 (BCF = 1.257e+004 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 1.2275 days (HL = 16.88 days)
Log BCF Arnot-Gobas method (upper trophic) = 3.251 (BCF = 1783)
Log BAF Arnot-Gobas method (upper trophic) = 5.138 (BAF = 1.374e+005)
log Kow used: 7.05 (expkow database)
Volatilization from Water:
Henry LC: 1.38E-008 atm-m3/mole (estimated by Group SAR Method)
Half-Life from Model River: 8.232E+004 hours (3430 days)
Half-Life from Model Lake : 8.982E+005 hours (3.743E+004 days)
Removal In Wastewater Treatment:
Total removal: 93.87 percent
Total biodegradation: 0.78 percent
Total sludge adsorption: 93.09 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 0.0255 4.13 1000
Water 3.96 1.44e+003 1000
Soil 51.7 2.88e+003 1000
Sediment 44.3 1.3e+004 0
Persistence Time: 3.83e+003 hr