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CAS Number: 113-48-4


CHEM : 4,7-Methano-1H-isoindole-1,3(2H)-dione, 2-(2-ethylhexyl)-3a,4,7,7a-te


MOL FOR: C17 H25 N1 O2

MOL WT : 275.39

------------------------------ EPI SUMMARY (v4.11) --------------------------

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) = 3.76

Log Kow (Exper. database match) = 3.70

Exper. Ref: TOMLIN,C (1994)

Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):

Boiling Pt (deg C): 442.97 (Adapted Stein & Brown method)

Melting Pt (deg C): 185.96 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 7.34E-007 (Modified Grain method)

VP (Pa, 25 deg C) : 9.79E-005 (Modified Grain method)

MP (exp database): -20 deg C

BP (exp database): 150 @ 2 mm Hg deg C

VP (exp database): 1.80E-05 mm Hg (2.40E-003 Pa) at 25 deg C

Water Solubility Estimate from Log Kow (WSKOW v1.42):

Water Solubility at 25 deg C (mg/L): 11.78

log Kow used: 3.70 (expkow database)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 1.3739 mg/L

ECOSAR Class Program (ECOSAR v1.11):

Class(es) found:


Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:

Bond Method : 2.85E-007 atm-m3/mole (2.89E-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: 2.258E-008 atm-m3/mole (2.288E-003 Pa-m3/mole)

VP: 7.34E-007 mm Hg (source: MPBPVP)

WS: 11.8 mg/L (source: WSKOWWIN)

Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:

Log Kow used: 3.70 (exp database)

Log Kaw used: -4.934 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 8.634

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.7249

Biowin2 (Non-Linear Model) : 0.7195

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.8889 (weeks )

Biowin4 (Primary Survey Model) : 3.7195 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.1720

Biowin6 (MITI Non-Linear Model): 0.0276

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.2141

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): 0.0024 Pa (1.8E-005 mm Hg)

Log Koa (Koawin est ): 8.634

Kp (particle/gas partition coef. (m3/ug)):

Mackay model : 0.00125

Octanol/air (Koa) model: 0.000106

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.0432

Mackay model : 0.0909

Octanol/air (Koa) model: 0.00838

Atmospheric Oxidation (25 deg C) [AopWin v1.92]:

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 99.0987 E-12 cm3/molecule-sec

Half-Life = 0.108 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 1.295 Hrs

Ozone Reaction:

OVERALL Ozone Rate Constant = 20.000000 E-17 cm3/molecule-sec

Half-Life = 0.057 Days (at 7E11 mol/cm3)

Half-Life = 1.375 Hrs

Fraction sorbed to airborne particulates (phi):

0.0671 (Junge-Pankow, Mackay avg)

0.00838 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 2353 L/kg (MCI method)

Log Koc: 3.372 (MCI method)

Koc : 875.6 L/kg (Kow method)

Log Koc: 2.942 (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 = 2.108 (BCF = 128.3 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 0.3400 days (HL = 2.188 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.526 (BCF = 335.5)

Log BAF Arnot-Gobas method (upper trophic) = 2.526 (BAF = 335.9)

log Kow used: 3.70 (expkow database)

Volatilization from Water:

Henry LC: 2.85E-007 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 3411 hours (142.1 days)

Half-Life from Model Lake : 3.735E+004 hours (1556 days)

Removal In Wastewater Treatment:

Total removal: 18.45 percent

Total biodegradation: 0.23 percent

Total sludge adsorption: 18.21 percent

Total to Air: 0.01 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.0895 0.898 1000

Water 24.2 360 1000

Soil 73.9 720 1000

Sediment 1.84 3.24e+003 0

Persistence Time: 471 hr

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