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CAS Number: 101007-06-1
SMILES : c1c(Oc2ccccc2)cccc1C(C(#N))OC(=O)C3C(C)(C)C3C=CC(=O)OC(C(F)(F)F)C(F)(
F)F
CHEM : Acrinathrin
MOL FOR: C26 H21 F6 N1 O5
MOL WT : 541.45
------------------------------ EPI SUMMARY (v4.10) --------------------------
Henry LC (atm-m3/mole) : ------
Log Kow (octanol-water): ------
Boiling Point (deg C) : ------
Water Solubility (mg/L): ------
Physical Property Inputs:
Vapor Pressure (mm Hg) : ------
Melting Point (deg C) : ------
Log Octanol-Water Partition Coef (SRC):
Log Kow (KOWWIN v1.68 estimate) = 6.73
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 451.29 (Adapted Stein & Brown method)
Melting Pt (deg C): 2.91 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 1.32E-007 (Modified Grain method)
VP (Pa, 25 deg C) : 1.76E-005 (Modified Grain method)
MP (exp database): 81.5 deg C
VP (exp database): 3.30E-10 mm Hg (4.40E-008 Pa) at 20 deg C
Subcooled liquid VP: 1.19E-009 mm Hg (20 deg C, exp database VP )
: 1.59E-007 Pa (20 deg C, exp database VP )
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 0.000378
log Kow used: 6.73 (estimated)
no-melting pt equation used
Water Sol (Exper. database match) = 0.02 mg/L (25 deg C)
Exper. Ref: TOMLIN,C (1997)
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 0.00031739 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Acrylates
Esters
Benzyl Nitriles
Nitrile Esters
Pyrethroids
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 2.50E-007 atm-m3/mole (2.53E-002 Pa-m3/mole)
Group Method: Incomplete
Exper Database: 1.18E-08 atm-m3/mole (1.20E-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: 2.488E-004 atm-m3/mole (2.521E+001 Pa-m3/mole)
VP: 1.32E-007 mm Hg (source: MPBPVP)
WS: 0.000378 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 6.73 (KowWin est)
Log Kaw used: -6.317 (exp database)
Log Koa (KOAWIN v1.10 estimate): 13.047
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.1804
Biowin2 (Non-Linear Model) : 0.2907
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 0.9265 (recalcitrant)
Biowin4 (Primary Survey Model) : 2.8390 (weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.2792
Biowin6 (MITI Non-Linear Model): 0.0000
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.0228
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): 1.59E-007 Pa (1.19E-009 mm Hg)
Log Koa (Koawin est ): 13.047
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 18.9
Octanol/air (Koa) model: 2.74
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.999
Mackay model : 0.999
Octanol/air (Koa) model: 0.995
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 37.3507 E-12 cm3/molecule-sec [Cis-isomer]
OVERALL OH Rate Constant = 40.0107 E-12 cm3/molecule-sec [Trans-isomer]
Half-Life = 3.436 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
Half-Life = 3.208 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]
Ozone Reaction:
OVERALL Ozone Rate Constant = 0.568750 E-17 cm3/molecule-sec [Cis-]
OVERALL Ozone Rate Constant = 1.137500 E-17 cm3/molecule-sec [Trans-]
Half-Life = 2.015 Days (at 7E11 mol/cm3) [Cis-isomer]
Half-Life = 1.007 Days (at 7E11 mol/cm3) [Trans-isomer]
Fraction sorbed to airborne particulates (phi):
0.999 (Junge-Pankow, Mackay avg)
0.995 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 7.161E+005 L/kg (MCI method)
Log Koc: 5.855 (MCI method)
Koc : 9.216E+004 L/kg (Kow method)
Log Koc: 4.965 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Total Kb for pH > 8 at 25 deg C : 1.276E-002 L/mol-sec
Kb Half-Life at pH 8: 1.721 years
Kb Half-Life at pH 7: 17.207 years
(Total Kb applies only to esters, carbmates, alkyl halides)
Bioaccumulation Estimates (BCFBAF v3.01):
Log BCF from regression-based method = 2.847 (BCF = 702.6 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -0.3159 days (HL = 0.4831 days)
Log BCF Arnot-Gobas method (upper trophic) = 1.985 (BCF = 96.58)
Log BAF Arnot-Gobas method (upper trophic) = 2.010 (BAF = 102.3)
log Kow used: 6.73 (estimated)
Volatilization from Water:
Henry LC: 1.18E-008 atm-m3/mole (Henry experimental database)
Half-Life from Model River: 1.155E+005 hours (4811 days)
Half-Life from Model Lake : 1.26E+006 hours (5.249E+004 days)
Removal In Wastewater Treatment:
Total removal: 93.68 percent
Total biodegradation: 0.78 percent
Total sludge adsorption: 92.90 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 0.0178 6.02 1000
Water 1.23 4.32e+003 1000
Soil 50 8.64e+003 1000
Sediment 48.7 3.89e+004 0
Persistence Time: 1.05e+004 hr