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CAS Number: 82560-54-1
SMILES : c1ccc2CC(C)(C)Oc2c1OC(=O)N(C)SN(C(C)C)CCC(=O)OCC
CHEM : Benfuracarb
MOL FOR: C20 H30 N2 O5 S1
MOL WT : 410.53
------------------------------ 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) = 4.06
Log Kow (Exper. database match) = 4.30
Exper. Ref: TOMLIN,C (1994)
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 443.93 (Adapted Stein & Brown method)
Melting Pt (deg C): 163.99 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 6.95E-007 (Modified Grain method)
VP (Pa, 25 deg C) : 9.27E-005 (Modified Grain method)
MP (exp database): < 25 deg C
BP (exp database): 110 @ 0.173 mm Hg deg C
VP (exp database): 2.00E-07 mm Hg (2.67E-005 Pa) at 20 deg C
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 0.5604
log Kow used: 4.30 (expkow database)
no-melting pt equation used
Water Sol (Exper. database match) = 8 mg/L (20 deg C)
Exper. Ref: SHIU,WY ET AL. (1990)
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 16.213 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Aliphatic Amines
Carbamate Esters
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 3.02E-012 atm-m3/mole (3.06E-007 Pa-m3/mole)
Group Method: Incomplete
Exper Database: 1.35E-08 atm-m3/mole (1.37E-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: 6.699E-007 atm-m3/mole (6.788E-002 Pa-m3/mole)
VP: 6.95E-007 mm Hg (source: MPBPVP)
WS: 0.56 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 4.30 (exp database)
Log Kaw used: -6.258 (exp database)
Log Koa (KOAWIN v1.10 estimate): 10.558
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.7289
Biowin2 (Non-Linear Model) : 0.9138
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.0871 (months )
Biowin4 (Primary Survey Model) : 3.3395 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.1664
Biowin6 (MITI Non-Linear Model): 0.0262
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -0.1217
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): 2.67E-005 Pa (2E-007 mm Hg)
Log Koa (Koawin est ): 10.558
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 0.112
Octanol/air (Koa) model: 0.00887
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.803
Mackay model : 0.9
Octanol/air (Koa) model: 0.415
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 57.0859 E-12 cm3/molecule-sec
Half-Life = 0.187 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 2.248 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
0.851 (Junge-Pankow, Mackay avg)
0.415 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 1515 L/kg (MCI method)
Log Koc: 3.180 (MCI method)
Koc : 1426 L/kg (Kow method)
Log Koc: 3.154 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Total Kb for pH > 8 at 25 deg C : 5.821E-002 L/mol-sec
Kb Half-Life at pH 8: 137.810 days
Kb Half-Life at pH 7: 3.773 years
(Total Kb applies only to esters, carbmates, alkyl halides)
Bioaccumulation Estimates (BCFBAF v3.01):
Log BCF from regression-based method = 2.504 (BCF = 319.3 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -0.3341 days (HL = 0.4633 days)
Log BCF Arnot-Gobas method (upper trophic) = 2.255 (BCF = 179.7)
Log BAF Arnot-Gobas method (upper trophic) = 2.255 (BAF = 179.8)
log Kow used: 4.30 (expkow database)
Volatilization from Water:
Henry LC: 1.35E-008 atm-m3/mole (Henry experimental database)
Half-Life from Model River: 8.787E+004 hours (3661 days)
Half-Life from Model Lake : 9.588E+005 hours (3.995E+004 days)
Removal In Wastewater Treatment:
Total removal: 45.27 percent
Total biodegradation: 0.44 percent
Total sludge adsorption: 44.83 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 0.0436 4.5 1000
Water 10.9 1.44e+003 1000
Soil 87.9 2.88e+003 1000
Sediment 1.11 1.3e+004 0
Persistence Time: 2.24e+003 hr