This page contains the EPI System Summary only.
For complete control of this information -
Download the free EPI SuiteTM v4.0 program : here
also you can go back to the Datasheet
CAS Number: 304-17-6
SMILES : O=C(N(C(=O)c1cccc2)C(C)C)c12
CHEM : 1H-Isoindole-1,3(2H)-dione, 2-(1-methylethyl)-
MOL FOR: C11 H11 N1 O2
MOL WT : 189.22
------------------------------ 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) = 2.42
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 388.07 (Adapted Stein & Brown method)
Melting Pt (deg C): 154.01 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 7.8E-007 (Modified Grain method)
VP (Pa, 25 deg C) : 0.000104 (Modified Grain method)
Subcooled liquid VP: 1.62E-005 mm Hg (25 deg C, Mod-Grain method)
: 0.00216 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 427.3
log Kow used: 2.42 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 202.68 mg/L
ECOSAR Class Program (ECOSAR v1.11):
Class(es) found:
Imides
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 3.96E-008 atm-m3/mole (4.01E-003 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: 4.545E-010 atm-m3/mole (4.605E-005 Pa-m3/mole)
VP: 7.8E-007 mm Hg (source: MPBPVP)
WS: 427 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 2.42 (KowWin est)
Log Kaw used: -5.791 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 8.211
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.6575
Biowin2 (Non-Linear Model) : 0.5798
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.7810 (weeks )
Biowin4 (Primary Survey Model) : 3.5747 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.1322
Biowin6 (MITI Non-Linear Model): 0.0747
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.1294
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): 0.00216 Pa (1.62E-005 mm Hg)
Log Koa (Koawin est ): 8.211
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 0.00139
Octanol/air (Koa) model: 3.99E-005
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.0478
Mackay model : 0.1
Octanol/air (Koa) model: 0.00318
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 24.0378 E-12 cm3/molecule-sec
Half-Life = 0.445 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 5.340 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
0.0739 (Junge-Pankow, Mackay avg)
0.00318 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 10 L/kg (MCI method)
Log Koc: 1.000 (MCI method)
Koc : 60.72 L/kg (Kow method)
Log Koc: 1.783 (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 = 1.262 (BCF = 18.29 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 0.1551 days (HL = 1.429 days)
Log BCF Arnot-Gobas method (upper trophic) = 1.434 (BCF = 27.19)
Log BAF Arnot-Gobas method (upper trophic) = 1.434 (BAF = 27.19)
log Kow used: 2.42 (estimated)
Volatilization from Water:
Henry LC: 3.96E-008 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 2.034E+004 hours (847.5 days)
Half-Life from Model Lake : 2.22E+005 hours (9250 days)
Removal In Wastewater Treatment:
Total removal: 2.89 percent
Total biodegradation: 0.10 percent
Total sludge adsorption: 2.79 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 0.507 10.7 1000
Water 34.3 360 1000
Soil 65.1 720 1000
Sediment 0.0773 3.24e+003 0
Persistence Time: 497 hr