This page contains the EPI System Summary only.
For complete control of this information -
Download the free EPI SuiteTM v4.0 program : here
also you can go back to the Datasheet
CAS Number: 239110-15-7
SMILES : c1cc(c(c(c1)CL)C(=O)NCc2c(cc(cn2)C(F)(F)F)CL)CL
CHEM :
MOL FOR: C14 H8 CL3 F3 N2 O1
MOL WT : 383.59
------------------------------ EPI SUMMARY (v4.10) --------------------------
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) = 4.62
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 455.03 (Adapted Stein & Brown method)
Melting Pt (deg C): 191.59 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 6.59E-009 (Modified Grain method)
VP (Pa, 25 deg C) : 8.79E-007 (Modified Grain method)
Subcooled liquid VP: 3.69E-007 mm Hg (25 deg C, Mod-Grain method)
: 4.92E-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): 0.4386
log Kow used: 4.62 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 4.5142 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Amides
Halo Benzamides
Halopyrdines
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 1.82E-012 atm-m3/mole (1.84E-007 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: 7.584E-009 atm-m3/mole (7.684E-004 Pa-m3/mole)
VP: 6.59E-009 mm Hg (source: MPBPVP)
WS: 0.439 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 4.62 (KowWin est)
Log Kaw used: -10.128 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 14.748
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : -0.4472
Biowin2 (Non-Linear Model) : 0.0000
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 0.9504 (recalcitrant)
Biowin4 (Primary Survey Model) : 2.7106 (weeks-months)
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : -0.2798
Biowin6 (MITI Non-Linear Model): 0.0000
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -0.7820
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): 4.92E-005 Pa (3.69E-007 mm Hg)
Log Koa (Koawin est ): 14.748
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 0.061
Octanol/air (Koa) model: 137
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.688
Mackay model : 0.83
Octanol/air (Koa) model: 1
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 4.7570 E-12 cm3/molecule-sec
Half-Life = 2.248 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 26.982 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
0.759 (Junge-Pankow, Mackay avg)
1 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 2.481E+004 L/kg (MCI method)
Log Koc: 4.395 (MCI method)
Koc : 3550 L/kg (Kow method)
Log Koc: 3.550 (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 = 2.715 (BCF = 519 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -0.2575 days (HL = 0.5527 days)
Log BCF Arnot-Gobas method (upper trophic) = 2.345 (BCF = 221.5)
Log BAF Arnot-Gobas method (upper trophic) = 2.346 (BAF = 221.7)
log Kow used: 4.62 (estimated)
Volatilization from Water:
Henry LC: 1.82E-012 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 6.301E+008 hours (2.625E+007 days)
Half-Life from Model Lake : 6.873E+009 hours (2.864E+008 days)
Removal In Wastewater Treatment:
Total removal: 62.16 percent
Total biodegradation: 0.57 percent
Total sludge adsorption: 61.60 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 1.12e-005 54 1000
Water 3.24 4.32e+003 1000
Soil 87.2 8.64e+003 1000
Sediment 9.6 3.89e+004 0
Persistence Time: 9e+003 hr