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CAS Number: 732-11-6
SMILES : COP(=S)(OC)SCN2C(=O)c1ccccc1C2(=O)
CHEM : Phosmet
MOL FOR: C11 H12 N1 O4 P1 S2
MOL WT : 317.32
------------------------------ 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) = 2.48
Log Kow (Exper. database match) = 2.78
Exper. Ref: HANSCH,C ET AL. (1995)
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 480.00 (Adapted Stein & Brown method)
Melting Pt (deg C): 90.27 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 3.15E-008 (Modified Grain method)
VP (Pa, 25 deg C) : 4.2E-006 (Modified Grain method)
MP (exp database): 72 deg C
VP (exp database): 4.90E-07 mm Hg (6.53E-005 Pa) at 25 deg C
Subcooled liquid VP: 1.43E-006 mm Hg (25 deg C, exp database VP )
: 0.000191 Pa (25 deg C, exp database VP )
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 41.05
log Kow used: 2.78 (expkow database)
no-melting pt equation used
Water Sol (Exper. database match) = 24.4 mg/L (20 deg C)
Exper. Ref: BOWMAN,BT & SANS,WW (1983)
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 45.582 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Imides
Nearest analog analysis: pesticides
Amides
Esters, Dithiophosphates
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 9.02E-009 atm-m3/mole (9.14E-004 Pa-m3/mole)
Group Method: Incomplete
Exper Database: 8.38E-09 atm-m3/mole (8.49E-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: 3.204E-010 atm-m3/mole (3.246E-005 Pa-m3/mole)
VP: 3.15E-008 mm Hg (source: MPBPVP)
WS: 41 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 2.78 (exp database)
Log Kaw used: -6.465 (exp database)
Log Koa (KOAWIN v1.10 estimate): 9.245
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.9104
Biowin2 (Non-Linear Model) : 1.0000
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.6517 (weeks-months)
Biowin4 (Primary Survey Model) : 3.8553 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.0059
Biowin6 (MITI Non-Linear Model): 0.0104
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.8482
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): 0.000191 Pa (1.43E-006 mm Hg)
Log Koa (Koawin est ): 9.245
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 0.0157
Octanol/air (Koa) model: 0.000432
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.362
Mackay model : 0.557
Octanol/air (Koa) model: 0.0334
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 152.8279 E-12 cm3/molecule-sec
Half-Life = 0.070 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 0.840 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
0.46 (Junge-Pankow, Mackay avg)
0.0334 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 10 L/kg (MCI method)
Log Koc: 1.000 (MCI method)
Koc : 77.75 L/kg (Kow method)
Log Koc: 1.891 (Kow method)
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 = 1.501 (BCF = 31.71 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 0.3512 days (HL = 2.245 days)
Log BCF Arnot-Gobas method (upper trophic) = 1.782 (BCF = 60.55)
Log BAF Arnot-Gobas method (upper trophic) = 1.782 (BAF = 60.56)
log Kow used: 2.78 (expkow database)
Volatilization from Water:
Henry LC: 8.38E-009 atm-m3/mole (Henry experimental database)
Half-Life from Model River: 1.245E+005 hours (5186 days)
Half-Life from Model Lake : 1.358E+006 hours (5.658E+004 days)
Removal In Wastewater Treatment:
Total removal: 4.20 percent
Total biodegradation: 0.11 percent
Total sludge adsorption: 4.09 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 0.0938 1.68 1000
Water 41.1 900 1000
Soil 58.7 1.8e+003 1000
Sediment 0.0982 8.1e+003 0
Persistence Time: 740 hr