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CAS Number: 8018-01-7
SMILES : S=C(S)NCCNC(=S)S
CHEM : MANCOZEB
MOL FOR: C4 H8 N2 S4
MOL WT : 212.36
------------------------------ EPI SUMMARY (v4.11) --------------------------
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) = 0.62
Log Kow (Exper. database match) = 1.33
Exper. Ref: USDA PESTICIDE PROPERTIES DATABASE
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 351.14 (Adapted Stein & Brown method)
Melting Pt (deg C): 117.87 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 1.77E-006 (Modified Grain method)
VP (Pa, 25 deg C) : 0.000236 (Modified Grain method)
MP (exp database): 200 dec deg C
VP (exp database): 7.50E-08 mm Hg (1.00E-005 Pa) at 20 deg C
Subcooled liquid VP: 4.04E-006 mm Hg (20 deg C, exp database VP )
: 0.000538 Pa (20 deg C, exp database VP )
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 2.814e+004
log Kow used: 1.33 (expkow database)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 1e+006 mg/L
ECOSAR Class Program (ECOSAR v1.11):
Class(es) found:
Thiocarbamate,Di(free acid)
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 5.64E-007 atm-m3/mole (5.71E-002 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: 1.758E-011 atm-m3/mole (1.781E-006 Pa-m3/mole)
VP: 1.77E-006 mm Hg (source: MPBPVP)
WS: 2.81E+004 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 1.33 (exp database)
Log Kaw used: -4.637 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 5.967
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.6464
Biowin2 (Non-Linear Model) : 0.4983
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.7299 (weeks-months)
Biowin4 (Primary Survey Model) : 3.5414 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.1792
Biowin6 (MITI Non-Linear Model): 0.0603
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.8881
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): 0.000539 Pa (4.04E-006 mm Hg)
Log Koa (Koawin est ): 5.967
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 0.00557
Octanol/air (Koa) model: 2.28E-007
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.167
Mackay model : 0.308
Octanol/air (Koa) model: 1.82E-005
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 212.3681 E-12 cm3/molecule-sec
Half-Life = 0.050 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 0.604 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
0.238 (Junge-Pankow, Mackay avg)
1.82E-005 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 607.6 L/kg (MCI method)
Log Koc: 2.784 (MCI method)
Koc : 780.6 L/kg (Kow method)
Log Koc: 2.892 (Kow method)
Experimental Log Koc: 2.74 (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 = 0.545 (BCF = 3.504 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -1.6245 days (HL = 0.02374 days)
Log BCF Arnot-Gobas method (upper trophic) = 0.278 (BCF = 1.897)
Log BAF Arnot-Gobas method (upper trophic) = 0.278 (BAF = 1.897)
log Kow used: 1.33 (expkow database)
Volatilization from Water:
Henry LC: 5.64E-007 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 1514 hours (63.09 days)
Half-Life from Model Lake : 1.664E+004 hours (693.4 days)
Removal In Wastewater Treatment:
Total removal: 1.96 percent
Total biodegradation: 0.09 percent
Total sludge adsorption: 1.84 percent
Total to Air: 0.03 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.0553 1.21 1000
Water 18.9 900 1000
Soil 80.4 1.8e+003 1000
Sediment 0.635 8.1e+003 0
Persistence Time: 1.03e+003 hr