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CAS Number: 283594-90-1
SMILES : C3CC2(CC3)C(=C(C(=O)(O2))c1c(cc(cc1C)C)C)OC(=O)(CC(C)(C)C)
CHEM : SPIROMESIFEN
MOL FOR: C23 H30 O4
MOL WT : 370.49
------------------------------ 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) = 6.08
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 471.14 (Adapted Stein & Brown method)
Melting Pt (deg C): 191.78 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 2.6E-009 (Modified Grain method)
VP (Pa, 25 deg C) : 3.46E-007 (Modified Grain method)
Subcooled liquid VP: 1.46E-007 mm Hg (25 deg C, Mod-Grain method)
: 1.95E-005 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 0.03011
log Kow used: 6.08 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 0.029245 mg/L
ECOSAR Class Program (ECOSAR v1.11):
Class(es) found:
Esters
Vinyl/Allyl Esters
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 2.33E-007 atm-m3/mole (2.36E-002 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: 4.209E-008 atm-m3/mole (4.265E-003 Pa-m3/mole)
VP: 2.6E-009 mm Hg (source: MPBPVP)
WS: 0.0301 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 6.08 (KowWin est)
Log Kaw used: -5.021 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 11.101
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.7157
Biowin2 (Non-Linear Model) : 0.9851
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.0121 (months )
Biowin4 (Primary Survey Model) : 3.2587 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.7030
Biowin6 (MITI Non-Linear Model): 0.5290
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -1.4876
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): 1.95E-005 Pa (1.46E-007 mm Hg)
Log Koa (Koawin est ): 11.101
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 0.154
Octanol/air (Koa) model: 0.031
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.848
Mackay model : 0.925
Octanol/air (Koa) model: 0.712
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 75.9986 E-12 cm3/molecule-sec
Half-Life = 0.141 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 1.689 Hrs
Ozone Reaction:
OVERALL Ozone Rate Constant = 2.100000 E-17 cm3/molecule-sec
Half-Life = 0.546 Days (at 7E11 mol/cm3)
Half-Life = 13.097 Hrs
Fraction sorbed to airborne particulates (phi):
0.886 (Junge-Pankow, Mackay avg)
0.712 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 3.418E+004 L/kg (MCI method)
Log Koc: 4.534 (MCI method)
Koc : 1.435E+004 L/kg (Kow method)
Log Koc: 4.157 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Total Kb for pH > 8 at 25 deg C : 4.961E-003 L/mol-sec
Kb Half-Life at pH 8: 4.427 years
Kb Half-Life at pH 7: 44.268 years
(Total Kb applies only to esters, carbmates, alkyl halides)
Bioaccumulation Estimates (BCFBAF v3.01):
Log BCF from regression-based method = 3.676 (BCF = 4742 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -0.5677 days (HL = 0.2706 days)
Log BCF Arnot-Gobas method (upper trophic) = 1.967 (BCF = 92.67)
Log BAF Arnot-Gobas method (upper trophic) = 1.969 (BAF = 93.1)
log Kow used: 6.08 (estimated)
Volatilization from Water:
Henry LC: 2.33E-007 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 4839 hours (201.6 days)
Half-Life from Model Lake : 5.295E+004 hours (2206 days)
Removal In Wastewater Treatment:
Total removal: 92.47 percent
Total biodegradation: 0.77 percent
Total sludge adsorption: 91.70 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 0.0513 2.68 1000
Water 9.23 1.44e+003 1000
Soil 68.2 2.88e+003 1000
Sediment 22.5 1.3e+004 0
Persistence Time: 2.2e+003 hr