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CAS Number: 86-50-0
SMILES : S=P(OC)(OC)SCN1N=Nc2ccccc2C1(=O)
CHEM : Methylazinphos
MOL FOR: C10 H12 N3 O3 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) = 2.53
Log Kow (Exper. database match) = 2.75
Exper. Ref: HANSCH,C ET AL. (1995)
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 454.64 (Adapted Stein & Brown method)
Melting Pt (deg C): 87.80 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 1.33E-007 (Modified Grain method)
VP (Pa, 25 deg C) : 1.77E-005 (Modified Grain method)
MP (exp database): 73 deg C
VP (exp database): 1.60E-06 mm Hg (2.13E-004 Pa) at 20 deg C
Subcooled liquid VP: 4.77E-006 mm Hg (20 deg C, exp database VP )
: 0.000636 Pa (20 deg C, exp database VP )
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 43.54
log Kow used: 2.75 (expkow database)
no-melting pt equation used
Water Sol (Exper. database match) = 20.9 mg/L (20 deg C)
Exper. Ref: BOWMAN,BT & SANS,WW (1983)
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 154.28 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 : 2.86E-010 atm-m3/mole (2.90E-005 Pa-m3/mole)
Group Method: Incomplete
Exper Database: 2.39E-08 atm-m3/mole (2.42E-003 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: 1.275E-009 atm-m3/mole (1.292E-004 Pa-m3/mole)
VP: 1.33E-007 mm Hg (source: MPBPVP)
WS: 43.5 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 2.75 (exp database)
Log Kaw used: -6.010 (exp database)
Log Koa (KOAWIN v1.10 estimate): 8.760
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): 0.000636 Pa (4.77E-006 mm Hg)
Log Koa (Koawin est ): 8.760
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 0.00472
Octanol/air (Koa) model: 0.000141
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.146
Mackay model : 0.274
Octanol/air (Koa) model: 0.0112
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 152.4044 E-12 cm3/molecule-sec
Half-Life = 0.070 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 0.842 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
0.21 (Junge-Pankow, Mackay avg)
0.0112 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 51.93 L/kg (MCI method)
Log Koc: 1.715 (MCI method)
Koc : 342.3 L/kg (Kow method)
Log Koc: 2.534 (Kow method)
Experimental Log Koc: 2.28 (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 = 1.481 (BCF = 30.3 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 0.3419 days (HL = 2.197 days)
Log BCF Arnot-Gobas method (upper trophic) = 1.754 (BCF = 56.73)
Log BAF Arnot-Gobas method (upper trophic) = 1.754 (BAF = 56.74)
log Kow used: 2.75 (expkow database)
Volatilization from Water:
Henry LC: 2.39E-008 atm-m3/mole (Henry experimental database)
Half-Life from Model River: 4.364E+004 hours (1818 days)
Half-Life from Model Lake : 4.762E+005 hours (1.984E+004 days)
Removal In Wastewater Treatment:
Total removal: 4.05 percent
Total biodegradation: 0.11 percent
Total sludge adsorption: 3.94 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 0.0772 1.68 1000
Water 27.4 900 1000
Soil 72.4 1.8e+003 1000
Sediment 0.12 8.1e+003 0
Persistence Time: 919 hr