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CAS Number: 60-51-5
SMILES : O=C(NC)CSP(OC)(OC)=S
CHEM : Dimethoate
MOL FOR: C5 H12 N1 O3 P1 S2
MOL WT : 229.25
------------------------------ 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) = 0.72
Log Kow (Exper. database match) = 0.78
Exper. Ref: HANSCH,C ET AL. (1995)
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 360.80 (Adapted Stein & Brown method)
Melting Pt (deg C): 86.01 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 4.12E-005 (Modified Grain method)
VP (Pa, 25 deg C) : 0.0055 (Modified Grain method)
MP (exp database): 52 deg C
BP (exp database): 107 @ 0.05 mm Hg deg C
VP (exp database): 1.88E-05 mm Hg (2.51E-003 Pa) at 25 deg C
Subcooled liquid VP: 3.48E-005 mm Hg (25 deg C, exp database VP )
: 0.00464 Pa (25 deg C, exp database VP )
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 6626
log Kow used: 0.78 (expkow database)
no-melting pt equation used
Water Sol (Exper. database match) = 2.33e+004 mg/L (25 deg C)
Exper. Ref: TOMLIN,C (2003)
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 1.3731e+005 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Nearest analog analysis: pesticides
Amides
Esters, Dithiophosphates
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 2.11E-011 atm-m3/mole (2.14E-006 Pa-m3/mole)
Group Method: Incomplete
Exper Database: 2.43E-10 atm-m3/mole (2.46E-005 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: 1.876E-009 atm-m3/mole (1.900E-004 Pa-m3/mole)
VP: 4.12E-005 mm Hg (source: MPBPVP)
WS: 6.63E+003 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 0.78 (exp database)
Log Kaw used: -8.003 (exp database)
Log Koa (KOAWIN v1.10 estimate): 8.783
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 1.1625
Biowin2 (Non-Linear Model) : 1.0000
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.7921 (weeks )
Biowin4 (Primary Survey Model) : 4.1878 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.3621
Biowin6 (MITI Non-Linear Model): 0.1696
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.5825
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): 0.00464 Pa (3.48E-005 mm Hg)
Log Koa (Koawin est ): 8.783
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 0.000647
Octanol/air (Koa) model: 0.000149
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.0228
Mackay model : 0.0492
Octanol/air (Koa) model: 0.0118
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 78.9939 E-12 cm3/molecule-sec
Half-Life = 0.135 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 1.625 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
0.036 (Junge-Pankow, Mackay avg)
0.0118 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 12.77 L/kg (MCI method)
Log Koc: 1.106 (MCI method)
Koc : 17.35 L/kg (Kow method)
Log Koc: 1.239 (Kow method)
Experimental Log Koc: 1.2 (database)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Phosphorus esters hydrolysis rates available (see Full Output)
Bioaccumulation Estimates (BCFBAF v3.01):
Log BCF from regression-based method = 0.500 (BCF = 3.162 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -1.5231 days (HL = 0.02998 days)
Log BCF Arnot-Gobas method (upper trophic) = 0.146 (BCF = 1.4)
Log BAF Arnot-Gobas method (upper trophic) = 0.146 (BAF = 1.4)
log Kow used: 0.78 (expkow database)
Volatilization from Water:
Henry LC: 2.43E-010 atm-m3/mole (Henry experimental database)
Half-Life from Model River: 3.648E+006 hours (1.52E+005 days)
Half-Life from Model Lake : 3.98E+007 hours (1.658E+006 days)
Removal In Wastewater Treatment:
Total removal: 1.87 percent
Total biodegradation: 0.09 percent
Total sludge adsorption: 1.78 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 0.00505 3.25 1000
Water 29.3 360 1000
Soil 70.6 720 1000
Sediment 0.0694 3.24e+003 0
Persistence Time: 646 hr