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: 3060-89-7
SMILES : CON(C)C(=O)Nc1ccc(Br)cc1
CHEM : Metobromuron
MOL FOR: C9 H11 Br1 N2 O2
MOL WT : 259.10
------------------------------ 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) = 2.51
Log Kow (Exper. database match) = 2.38
Exper. Ref: BRIGGS,GG (1981)
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 359.23 (Adapted Stein & Brown method)
Melting Pt (deg C): 131.16 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 1.67E-005 (Modified Grain method)
VP (Pa, 25 deg C) : 0.00223 (Modified Grain method)
MP (exp database): 95 deg C
VP (exp database): 3.00E-06 mm Hg (4.00E-004 Pa) at 25 deg C
Subcooled liquid VP: 1.48E-005 mm Hg (25 deg C, exp database VP )
: 0.00197 Pa (25 deg C, exp database VP )
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 195.3
log Kow used: 2.38 (expkow database)
no-melting pt equation used
Water Sol (Exper. database match) = 330 mg/L (20 deg C)
Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992)
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 350.32 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Amides
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 8.37E-009 atm-m3/mole (8.48E-004 Pa-m3/mole)
Group Method: Incomplete
Exper Database: 3.10E-09 atm-m3/mole (3.14E-004 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: 2.915E-008 atm-m3/mole (2.954E-003 Pa-m3/mole)
VP: 1.67E-005 mm Hg (source: MPBPVP)
WS: 195 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 2.38 (exp database)
Log Kaw used: -6.897 (exp database)
Log Koa (KOAWIN v1.10 estimate): 9.277
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.5139
Biowin2 (Non-Linear Model) : 0.0872
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.4906 (weeks-months)
Biowin4 (Primary Survey Model) : 3.3204 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.1418
Biowin6 (MITI Non-Linear Model): 0.0506
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.2952
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): 0.00197 Pa (1.48E-005 mm Hg)
Log Koa (Koawin est ): 9.277
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 0.00152
Octanol/air (Koa) model: 0.000465
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.0521
Mackay model : 0.108
Octanol/air (Koa) model: 0.0358
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 13.8085 E-12 cm3/molecule-sec
Half-Life = 0.775 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 9.295 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
0.0802 (Junge-Pankow, Mackay avg)
0.0358 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 207.5 L/kg (MCI method)
Log Koc: 2.317 (MCI method)
Koc : 154.1 L/kg (Kow method)
Log Koc: 2.188 (Kow method)
Experimental Log Koc: 2.1 (database)
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 = 1.237 (BCF = 17.27 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -1.2006 days (HL = 0.06302 days)
Log BCF Arnot-Gobas method (upper trophic) = 1.073 (BCF = 11.82)
Log BAF Arnot-Gobas method (upper trophic) = 1.073 (BAF = 11.82)
log Kow used: 2.38 (expkow database)
Volatilization from Water:
Henry LC: 3.1E-009 atm-m3/mole (Henry experimental database)
Half-Life from Model River: 3.04E+005 hours (1.267E+004 days)
Half-Life from Model Lake : 3.317E+006 hours (1.382E+005 days)
Removal In Wastewater Treatment:
Total removal: 2.80 percent
Total biodegradation: 0.10 percent
Total sludge adsorption: 2.70 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 0.0239 18.6 1000
Water 14.6 900 1000
Soil 85.2 1.8e+003 1000
Sediment 0.177 8.1e+003 0
Persistence Time: 1.67e+003 hr