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CAS Number: 1563-66-2
SMILES : O=C(Oc(c(OC(C1)(C)C)c1cc2)c2)NC
CHEM : Carbofuran
MOL FOR: C12 H15 N1 O3
MOL WT : 221.26
------------------------------ 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) = 2.30
Log Kow (Exper. database match) = 2.32
Exper. Ref: HANSCH,C ET AL. (1995)
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 311.41 (Adapted Stein & Brown method)
Melting Pt (deg C): 92.80 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 5.54E-005 (Modified Grain method)
VP (Pa, 25 deg C) : 0.00738 (Modified Grain method)
MP (exp database): 151 deg C
VP (exp database): 4.85E-06 mm Hg (6.47E-004 Pa) at 19 deg C
Subcooled liquid VP: 0.00106 mm Hg (25 deg C, Mod-Grain method)
: 0.142 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 353.9
log Kow used: 2.32 (expkow database)
no-melting pt equation used
Water Sol (Exper. database match) = 320 mg/L (25 deg C)
Exper. Ref: SHAROM,MS ET AL. (1980A)
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 222.56 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Carbamate Esters
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 1.63E-009 atm-m3/mole (1.65E-004 Pa-m3/mole)
Group Method: Incomplete
Exper Database: 3.09E-09 atm-m3/mole (3.13E-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: 4.557E-008 atm-m3/mole (4.618E-003 Pa-m3/mole)
VP: 5.54E-005 mm Hg (source: MPBPVP)
WS: 354 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 2.32 (exp database)
Log Kaw used: -6.898 (exp database)
Log Koa (KOAWIN v1.10 estimate): 9.218
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.7244
Biowin2 (Non-Linear Model) : 0.8785
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.3184 (weeks-months)
Biowin4 (Primary Survey Model) : 3.5773 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.2435
Biowin6 (MITI Non-Linear Model): 0.1936
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.0331
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): 0.141 Pa (0.00106 mm Hg)
Log Koa (Koawin est ): 9.218
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 2.12E-005
Octanol/air (Koa) model: 0.000406
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.000766
Mackay model : 0.0017
Octanol/air (Koa) model: 0.0314
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 26.0075 E-12 cm3/molecule-sec
Half-Life = 0.411 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 4.935 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
0.00123 (Junge-Pankow, Mackay avg)
0.0314 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 95.25 L/kg (MCI method)
Log Koc: 1.979 (MCI method)
Koc : 147.3 L/kg (Kow method)
Log Koc: 2.168 (Kow method)
Experimental Log Koc: 1.75 (database)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Total Kb for pH > 8 at 25 deg C : 2.018E+000 L/mol-sec
Kb Half-Life at pH 8: 3.975 days
Kb Half-Life at pH 7: 39.754 days
(Total Kb applies only to esters, carbmates, alkyl halides)
Bioaccumulation Estimates (BCFBAF v3.01):
Log BCF from regression-based method = 1.198 (BCF = 15.77 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -1.0900 days (HL = 0.08128 days)
Log BCF Arnot-Gobas method (upper trophic) = 1.092 (BCF = 12.35)
Log BAF Arnot-Gobas method (upper trophic) = 1.092 (BAF = 12.35)
log Kow used: 2.32 (expkow database)
Volatilization from Water:
Henry LC: 3.09E-009 atm-m3/mole (Henry experimental database)
Half-Life from Model River: 2.818E+005 hours (1.174E+004 days)
Half-Life from Model Lake : 3.075E+006 hours (1.281E+005 days)
Removal In Wastewater Treatment:
Total removal: 2.68 percent
Total biodegradation: 0.10 percent
Total sludge adsorption: 2.58 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 0.025 9.87 1000
Water 17.9 900 1000
Soil 82 1.8e+003 1000
Sediment 0.116 8.1e+003 0
Persistence Time: 1.53e+003 hr