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CAS Number: 119515-38-7
SMILES : C1CC(N(C(=O)OC(CC)C)CC1)CCO
CHEM : Icaridin
MOL FOR: C12 H23 N1 O3
MOL WT : 229.32
------------------------------ 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) = 2.57
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 321.27 (Adapted Stein & Brown method)
Melting Pt (deg C): 89.12 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 8.26E-006 (Modified Grain method)
VP (Pa, 25 deg C) : 0.0011 (Modified Grain method)
Subcooled liquid VP: 3.42E-005 mm Hg (25 deg C, Mod-Grain method)
: 0.00456 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 196
log Kow used: 2.57 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 2886.4 mg/L
ECOSAR Class Program (ECOSAR v1.11):
Class(es) found:
Carbamate Esters
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 2.97E-011 atm-m3/mole (3.01E-006 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: 1.272E-008 atm-m3/mole (1.288E-003 Pa-m3/mole)
VP: 8.26E-006 mm Hg (source: MPBPVP)
WS: 196 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 2.57 (KowWin est)
Log Kaw used: -8.916 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 11.486
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.8766
Biowin2 (Non-Linear Model) : 0.8676
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.8057 (weeks )
Biowin4 (Primary Survey Model) : 3.8400 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.3373
Biowin6 (MITI Non-Linear Model): 0.3481
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.2812
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): 0.00456 Pa (3.42E-005 mm Hg)
Log Koa (Koawin est ): 11.486
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 0.000658
Octanol/air (Koa) model: 0.0752
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.0232
Mackay model : 0.05
Octanol/air (Koa) model: 0.857
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 56.0790 E-12 cm3/molecule-sec
Half-Life = 0.191 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 2.289 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
0.0366 (Junge-Pankow, Mackay avg)
0.857 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 79.9 L/kg (MCI method)
Log Koc: 1.903 (MCI method)
Koc : 64.43 L/kg (Kow method)
Log Koc: 1.809 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Total Kb for pH > 8 at 25 deg C : 1.399E-018 L/mol-sec
Kb Half-Life at pH 8: 1.570E+016 years
Kb Half-Life at pH 7: 1.570E+017 years
(Total Kb applies only to esters, carbmates, alkyl halides)
Bioaccumulation Estimates (BCFBAF v3.01):
Log BCF from regression-based method = 1.363 (BCF = 23.05 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -1.4043 days (HL = 0.03942 days)
Log BCF Arnot-Gobas method (upper trophic) = 1.035 (BCF = 10.85)
Log BAF Arnot-Gobas method (upper trophic) = 1.035 (BAF = 10.85)
log Kow used: 2.57 (estimated)
Volatilization from Water:
Henry LC: 2.97E-011 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 2.985E+007 hours (1.244E+006 days)
Half-Life from Model Lake : 3.257E+008 hours (1.357E+007 days)
Removal In Wastewater Treatment:
Total removal: 3.31 percent
Total biodegradation: 0.10 percent
Total sludge adsorption: 3.21 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 0.000562 4.58 1000
Water 20.1 360 1000
Soil 79.8 720 1000
Sediment 0.102 3.24e+003 0
Persistence Time: 737 hr