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: 123312-89-0
SMILES : O=C1NN=C(C)CN1N=Cc2cccnc2
CHEM : Pymetrozine
MOL FOR: C10 H11 N5 O1
MOL WT : 217.23
------------------------------ 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) = 0.89
Log Kow (Exper. database match) = -0.18
Exper. Ref: TOMLIN,C (1997); unstated pH
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 429.95 (Adapted Stein & Brown method)
Melting Pt (deg C): 178.72 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 1.38E-008 (Modified Grain method)
VP (Pa, 25 deg C) : 1.84E-006 (Modified Grain method)
MP (exp database): 217 deg C
Subcooled liquid VP: 1.54E-006 mm Hg (25 deg C, Mod-Grain method)
: 0.000205 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 4.957e+004
log Kow used: -0.18 (expkow database)
no-melting pt equation used
Water Sol (Exper. database match) = 290 mg/L (25 deg C)
Exper. Ref: TOMLIN,C (1997)
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 78336 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Hydrazines
Semicarbazide, Alkyl
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 3.54E-013 atm-m3/mole (3.59E-008 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: 7.957E-014 atm-m3/mole (8.063E-009 Pa-m3/mole)
VP: 1.38E-008 mm Hg (source: MPBPVP)
WS: 4.96E+004 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: -0.18 (exp database)
Log Kaw used: -10.839 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 10.659
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.4896
Biowin2 (Non-Linear Model) : 0.1526
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.5049 (weeks-months)
Biowin4 (Primary Survey Model) : 3.5156 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.0756
Biowin6 (MITI Non-Linear Model): 0.0389
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.9289
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): 0.000205 Pa (1.54E-006 mm Hg)
Log Koa (Koawin est ): 10.659
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 0.0146
Octanol/air (Koa) model: 0.0112
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.345
Mackay model : 0.539
Octanol/air (Koa) model: 0.472
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 9.6953 E-12 cm3/molecule-sec
Half-Life = 1.103 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 13.239 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
0.442 (Junge-Pankow, Mackay avg)
0.472 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 1310 L/kg (MCI method)
Log Koc: 3.117 (MCI method)
Koc : 9.33 L/kg (Kow method)
Log Koc: 0.970 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Rate constants can NOT be estimated for this structure!
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) = -3.3625 days (HL = 0.000434 days)
Log BCF Arnot-Gobas method (upper trophic) = -0.043 (BCF = 0.9058)
Log BAF Arnot-Gobas method (upper trophic) = -0.043 (BAF = 0.9058)
log Kow used: -0.18 (expkow database)
Volatilization from Water:
Henry LC: 3.54E-013 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 2.438E+009 hours (1.016E+008 days)
Half-Life from Model Lake : 2.659E+010 hours (1.108E+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 7.79e-006 26.5 1000
Water 11.6 900 1000
Soil 87.6 1.8e+003 1000
Sediment 0.849 8.1e+003 0
Persistence Time: 1.84e+003 hr