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CAS Number: 29232-93-7
SMILES : CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1
CHEM : Pirimiphos-methyl
MOL FOR: C11 H20 N3 O3 P1 S1
MOL WT : 305.33
------------------------------ 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) = 4.00
Log Kow (Exper. database match) = 4.20
Exper. Ref: HANSCH,C ET AL. (1995)
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 372.87 (Adapted Stein & Brown method)
Melting Pt (deg C): 89.53 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 3.76E-005 (Modified Grain method)
VP (Pa, 25 deg C) : 0.00501 (Modified Grain method)
MP (exp database): 15 deg C
VP (exp database): 1.50E-05 mm Hg (2.00E-003 Pa) at 20 deg C
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 2.959
log Kow used: 4.20 (expkow database)
no-melting pt equation used
Water Sol (Exper. database match) = 8.6 mg/L (20 deg C)
Exper. Ref: TOMLIN,C (1997); pH 7.3
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 237.8 mg/L
ECOSAR Class Program (ECOSAR v1.11):
Class(es) found:
Esters, Monothiophosphates
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 2.53E-006 atm-m3/mole (2.57E-001 Pa-m3/mole)
Group Method: Incomplete
Exper Database: 7.01E-07 atm-m3/mole (7.10E-002 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: 5.105E-006 atm-m3/mole (5.173E-001 Pa-m3/mole)
VP: 3.76E-005 mm Hg (source: MPBPVP)
WS: 2.96 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 4.20 (exp database)
Log Kaw used: -4.543 (exp database)
Log Koa (KOAWIN v1.10 estimate): 8.743
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.7655
Biowin2 (Non-Linear Model) : 1.0000
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.3485 (weeks-months)
Biowin4 (Primary Survey Model) : 3.5160 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.0238
Biowin6 (MITI Non-Linear Model): 0.0096
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -0.4453
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): 0.002 Pa (1.5E-005 mm Hg)
Log Koa (Koawin est ): 8.743
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 0.0015
Octanol/air (Koa) model: 0.000136
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.0514
Mackay model : 0.107
Octanol/air (Koa) model: 0.0107
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 160.0694 E-12 cm3/molecule-sec
Half-Life = 0.067 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 0.802 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
0.0793 (Junge-Pankow, Mackay avg)
0.0107 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 374.7 L/kg (MCI method)
Log Koc: 2.574 (MCI method)
Koc : 3089 L/kg (Kow method)
Log Koc: 3.490 (Kow method)
Experimental Log Koc: 3 (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 = 2.438 (BCF = 274.3 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -0.2283 days (HL = 0.5912 days)
Log BCF Arnot-Gobas method (upper trophic) = 2.338 (BCF = 217.7)
Log BAF Arnot-Gobas method (upper trophic) = 2.338 (BAF = 217.7)
log Kow used: 4.20 (expkow database)
Volatilization from Water:
Henry LC: 7.01E-007 atm-m3/mole (Henry experimental database)
Half-Life from Model River: 1461 hours (60.88 days)
Half-Life from Model Lake : 1.609E+004 hours (670.3 days)
Removal In Wastewater Treatment:
Total removal: 39.95 percent
Total biodegradation: 0.40 percent
Total sludge adsorption: 39.53 percent
Total to Air: 0.02 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.0752 1.6 1000
Water 19.8 900 1000
Soil 79.7 1.8e+003 1000
Sediment 0.413 8.1e+003 0
Persistence Time: 1.01e+003 hr