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CAS Number: 168316-95-8
SMILES : C1CC(N(C)C)C(C)OC1OC2CCCC(CC)OC(=O)CC3C4CCC5CC(OC6CC(C)C(OC)C(OC)C6OC
)CC5C4CC3C(=O)C2C
CHEM : Spinosad
MOL FOR: C42 H71 N1 O9
MOL WT : 734.04
------------------------------ EPI SUMMARY (v4.10) --------------------------
Henry LC (atm-m3/mole) : ------
Log Kow (octanol-water): ------
Boiling Point (deg C) : ------
Water Solubility (mg/L): ------
Physical Property Inputs:
Vapor Pressure (mm Hg) : ------
Melting Point (deg C) : ------
Log Octanol-Water Partition Coef (SRC):
Log Kow (KOWWIN v1.68 estimate) = 5.61
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 766.13 (Adapted Stein & Brown method)
Melting Pt (deg C): 336.91 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 7.87E-019 (Modified Grain method)
VP (Pa, 25 deg C) : 1.05E-016 (Modified Grain method)
Subcooled liquid VP: 2.74E-015 mm Hg (25 deg C, Mod-Grain method)
: 3.66E-013 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 0.003399
log Kow used: 5.61 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 18.572 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Aliphatic Amines
Esters
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 2.58E-021 atm-m3/mole (2.62E-016 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: 2.236E-016 atm-m3/mole (2.266E-011 Pa-m3/mole)
VP: 7.87E-019 mm Hg (source: MPBPVP)
WS: 0.0034 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 5.61 (KowWin est)
Log Kaw used: -18.977 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 24.587
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : -1.7103
Biowin2 (Non-Linear Model) : 0.0000
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 1.3880 (recalcitrant)
Biowin4 (Primary Survey Model) : 2.6490 (weeks-months)
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : -0.5723
Biowin6 (MITI Non-Linear Model): 0.0000
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -3.4225
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): 3.65E-013 Pa (2.74E-015 mm Hg)
Log Koa (Koawin est ): 24.587
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 8.21E+006
Octanol/air (Koa) model: 9.48E+011
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 1
Mackay model : 1
Octanol/air (Koa) model: 1
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 307.3591 E-12 cm3/molecule-sec
Half-Life = 0.035 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 25.056 Min
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
1 (Junge-Pankow, Mackay avg)
1 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 2.097E+005 L/kg (MCI method)
Log Koc: 5.322 (MCI method)
Koc : 3542 L/kg (Kow method)
Log Koc: 3.549 (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 = 3.371 (BCF = 2351 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 1.0109 days (HL = 10.25 days)
Log BCF Arnot-Gobas method (upper trophic) = 3.514 (BCF = 3269)
Log BAF Arnot-Gobas method (upper trophic) = 3.933 (BAF = 8565)
log Kow used: 5.61 (estimated)
Volatilization from Water:
Henry LC: 2.58E-021 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 6.148E+017 hours (2.562E+016 days)
Half-Life from Model Lake : 6.707E+018 hours (2.795E+017 days)
Removal In Wastewater Treatment:
Total removal: 89.52 percent
Total biodegradation: 0.75 percent
Total sludge adsorption: 88.77 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 2.77e-006 0.835 1000
Water 1.6 4.32e+003 1000
Soil 66 8.64e+003 1000
Sediment 32.4 3.89e+004 0
Persistence Time: 1.19e+004 hr