This page contains the EPI System Summary only.
For complete control of this information -
Download the free EPI SuiteTM v4.0 program : here
also you can go back to the Datasheet
CAS Number: 1113-02-6
SMILES : CNC(=O)CSP(=O)(OC)OC
CHEM : Omethoate
MOL FOR: C5 H12 N1 O4 P1 S1
MOL WT : 213.19
------------------------------ 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) = -0.79
Log Kow (Exper. database match) = -0.74
Exper. Ref: TOMLIN,C (1997)
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 364.27 (Adapted Stein & Brown method)
Melting Pt (deg C): 87.02 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 6.04E-005 (Modified Grain method)
VP (Pa, 25 deg C) : 0.00805 (Modified Grain method)
MP (exp database): -28 deg C
VP (exp database): 2.48E-05 mm Hg (3.31E-003 Pa) at 20 deg C
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 1.602e+005
log Kow used: -0.74 (expkow database)
no-melting pt equation used
Water Sol (Exper. database match) = 1e+006 mg/L ( deg C)
Exper. Ref: HARTLEY,D & KIDD,H (1991)
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 1e+006 mg/L
ECOSAR Class Program (ECOSAR v1.11):
Class(es) found:
Esters
Esters (phosphate)
Amides
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 4.56E-014 atm-m3/mole (4.62E-009 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: 1.058E-010 atm-m3/mole (1.072E-005 Pa-m3/mole)
VP: 6.04E-005 mm Hg (source: MPBPVP)
WS: 1.6E+005 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: -0.74 (exp database)
Log Kaw used: -11.729 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 10.989
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 1.1701
Biowin2 (Non-Linear Model) : 1.0000
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.8276 (weeks )
Biowin4 (Primary Survey Model) : 4.2109 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.4099
Biowin6 (MITI Non-Linear Model): 0.2451
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): 0.00331 Pa (2.48E-005 mm Hg)
Log Koa (Koawin est ): 10.989
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 0.000907
Octanol/air (Koa) model: 0.0239
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.0317
Mackay model : 0.0677
Octanol/air (Koa) model: 0.657
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 25.9939 E-12 cm3/molecule-sec
Half-Life = 0.411 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 4.938 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
0.0497 (Junge-Pankow, Mackay avg)
0.657 (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 : 3.922 L/kg (Kow method)
Log Koc: 0.594 (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 = 0.500 (BCF = 3.162 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -2.7500 days (HL = 0.001778 days)
Log BCF Arnot-Gobas method (upper trophic) = -0.047 (BCF = 0.8965)
Log BAF Arnot-Gobas method (upper trophic) = -0.047 (BAF = 0.8965)
log Kow used: -0.74 (expkow database)
Volatilization from Water:
Henry LC: 4.56E-014 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 1.875E+010 hours (7.811E+008 days)
Half-Life from Model Lake : 2.045E+011 hours (8.521E+009 days)
Removal In Wastewater Treatment:
Total removal: 1.85 percent
Total biodegradation: 0.09 percent
Total sludge adsorption: 1.76 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 9.75e-007 9.88 1000
Water 30.6 360 1000
Soil 69.4 720 1000
Sediment 0.0688 3.24e+003 0
Persistence Time: 640 hr