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CAS Number: 36734-19-7
SMILES : c1c(CL)cc(CL)cc1N2C(=O)CN(C(=O)NC(C)C)C2(=O)
CHEM : Iprodione
MOL FOR: C13 H13 CL2 N3 O3
MOL WT : 330.17
------------------------------ 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) = 2.85
Log Kow (Exper. database match) = 3.00
Exper. Ref: TOMLIN,C (1997)
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 544.90 (Adapted Stein & Brown method)
Melting Pt (deg C): 233.57 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 1.51E-010 (Modified Grain method)
VP (Pa, 25 deg C) : 2.01E-008 (Modified Grain method)
MP (exp database): 136 deg C
VP (exp database): 3.75E-09 mm Hg (5.00E-007 Pa) at 25 deg C
Subcooled liquid VP: 4.7E-008 mm Hg (25 deg C, exp database VP )
: 6.26E-006 Pa (25 deg C, exp database VP )
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 22.34
log Kow used: 3.00 (expkow database)
no-melting pt equation used
Water Sol (Exper. database match) = 13.9 mg/L (25 deg C)
Exper. Ref: WAUCHOPE,RD ET AL. (1991A)
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 0.038469 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Imides
Substituted Ureas
Amides
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 1.04E-013 atm-m3/mole (1.06E-008 Pa-m3/mole)
Group Method: Incomplete
Exper Database: 3.12E-09 atm-m3/mole (3.16E-004 Pa-m3/mole)
For Henry LC Comparison Purposes:
User-Entered Henry LC: not entered
Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:
HLC: 2.936E-012 atm-m3/mole (2.975E-007 Pa-m3/mole)
VP: 1.51E-010 mm Hg (source: MPBPVP)
WS: 22.3 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 3.00 (exp database)
Log Kaw used: -6.894 (exp database)
Log Koa (KOAWIN v1.10 estimate): 9.894
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.2255
Biowin2 (Non-Linear Model) : 0.0033
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.0563 (months )
Biowin4 (Primary Survey Model) : 3.0407 (weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : -0.2632
Biowin6 (MITI Non-Linear Model): 0.0010
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -0.6998
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): 6.27E-006 Pa (4.7E-008 mm Hg)
Log Koa (Koawin est ): 9.894
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 0.479
Octanol/air (Koa) model: 0.00192
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.945
Mackay model : 0.975
Octanol/air (Koa) model: 0.133
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 18.2711 E-12 cm3/molecule-sec
Half-Life = 0.585 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 7.025 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
0.96 (Junge-Pankow, Mackay avg)
0.133 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 52.52 L/kg (MCI method)
Log Koc: 1.720 (MCI method)
Koc : 312.7 L/kg (Kow method)
Log Koc: 2.495 (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 = 1.646 (BCF = 44.3 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -2.4491 days (HL = 0.003555 days)
Log BCF Arnot-Gobas method (upper trophic) = 0.780 (BCF = 6.026)
Log BAF Arnot-Gobas method (upper trophic) = 0.780 (BAF = 6.026)
log Kow used: 3.00 (expkow database)
Volatilization from Water:
Henry LC: 3.12E-009 atm-m3/mole (Henry experimental database)
Half-Life from Model River: 3.41E+005 hours (1.421E+004 days)
Half-Life from Model Lake : 3.72E+006 hours (1.55E+005 days)
Removal In Wastewater Treatment:
Total removal: 5.69 percent
Total biodegradation: 0.12 percent
Total sludge adsorption: 5.57 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 0.214 14 1000
Water 23.7 1.44e+003 1000
Soil 75.9 2.88e+003 1000
Sediment 0.108 1.3e+004 0
Persistence Time: 1.51e+003 hr