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CAS Number: 374726-62-2
SMILES : c2c(cc(c(OCC#C)c2)OC)CCNC(=O)(C(c1ccc(cc1)CL)OCC#C)
CHEM : Mandipropamid
MOL FOR: C23 H22 CL1 N1 O4
MOL WT : 411.89
------------------------------ 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) = 3.57
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 550.53 (Adapted Stein & Brown method)
Melting Pt (deg C): 236.20 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 7.44E-012 (Modified Grain method)
VP (Pa, 25 deg C) : 9.92E-010 (Modified Grain method)
Subcooled liquid VP: 1.41E-009 mm Hg (25 deg C, Mod-Grain method)
: 1.88E-007 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 2.311
log Kow used: 3.57 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 0.57466 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Propargyl Ethers
Amides
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 2.17E-015 atm-m3/mole (2.20E-010 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: 1.745E-012 atm-m3/mole (1.768E-007 Pa-m3/mole)
VP: 7.44E-012 mm Hg (source: MPBPVP)
WS: 2.31 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 3.57 (KowWin est)
Log Kaw used: -13.052 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 16.622
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.5503
Biowin2 (Non-Linear Model) : 0.3728
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 1.8284 (months )
Biowin4 (Primary Survey Model) : 3.3695 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.1522
Biowin6 (MITI Non-Linear Model): 0.0204
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -0.7936
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): 1.88E-007 Pa (1.41E-009 mm Hg)
Log Koa (Koawin est ): 16.622
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 16
Octanol/air (Koa) model: 1.03E+004
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.998
Mackay model : 0.999
Octanol/air (Koa) model: 1
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 94.3305 E-12 cm3/molecule-sec
Half-Life = 0.113 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 1.361 Hrs
Ozone Reaction:
OVERALL Ozone Rate Constant = 0.006000 E-17 cm3/molecule-sec
Half-Life = 191.000 Days (at 7E11 mol/cm3)
Fraction sorbed to airborne particulates (phi):
0.999 (Junge-Pankow, Mackay avg)
1 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 2.959E+004 L/kg (MCI method)
Log Koc: 4.471 (MCI method)
Koc : 786 L/kg (Kow method)
Log Koc: 2.895 (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 = 2.022 (BCF = 105.3 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -1.1701 days (HL = 0.06759 days)
Log BCF Arnot-Gobas method (upper trophic) = 1.434 (BCF = 27.16)
Log BAF Arnot-Gobas method (upper trophic) = 1.434 (BAF = 27.16)
log Kow used: 3.57 (estimated)
Volatilization from Water:
Henry LC: 2.17E-015 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 5.476E+011 hours (2.282E+010 days)
Half-Life from Model Lake : 5.974E+012 hours (2.489E+011 days)
Removal In Wastewater Treatment:
Total removal: 14.72 percent
Total biodegradation: 0.20 percent
Total sludge adsorption: 14.53 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 8.72e-006 2.72 1000
Water 6.67 1.44e+003 1000
Soil 78.4 2.88e+003 1000
Sediment 14.9 1.3e+004 0
Persistence Time: 3.35e+003 hr