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CAS Num: 004488-57-7
SMILES : C(C(C(C1C2)CC=3)C3)(C1)C2
CHEM : 4,7-Methano-1H-indene, 3a,4,5,6,7,7a-hexahydro-
MOL FOR: C10 H14
MOL WT : 134.22
------------------------------ EPI SUMMARY (v4.00) --------------------------
Physical Property Inputs:
Water Solubility (mg/L): ------
Vapor Pressure (mm Hg) : ------
Henry LC (atm-m3/mole) : ------
Log Kow (octanol-water): ------
Boiling Point (deg C) : ------
Melting Point (deg C) : ------
Log Octanol-Water Partition Coef (SRC):
Log Kow (KOWWIN v1.67 estimate) = 3.38
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
Boiling Pt (deg C): 174.03 (Adapted Stein & Brown method)
Melting Pt (deg C): -17.96 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 1.74 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 232 (Mean VP of Antoine & Grain methods)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 33.36
log Kow used: 3.38 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 2.2802 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 4.00E-002 atm-m3/mole (4.05E+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: 9.211E-003 atm-m3/mole (9.333E+002 Pa-m3/mole)
VP: 1.74 mm Hg (source: MPBPVP)
WS: 33.4 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 3.38 (KowWin est)
Log Kaw used: 0.214 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 3.166
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.6836
Biowin2 (Non-Linear Model) : 0.7508
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.9026 (weeks )
Biowin4 (Primary Survey Model) : 3.6541 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.4539
Biowin6 (MITI Non-Linear Model): 0.2965
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.3668
Ready Biodegradability Prediction: NO
Hydrocarbon Biodegradation (BioHCwin v1.01):
LOG BioHC Half-Life (days) : 1.5221
BioHC Half-Life (days) : 33.2744
Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
Vapor pressure (liquid/subcooled): 212 Pa (1.59 mm Hg)
Log Koa (Koawin est ): 3.166
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 1.42E-008
Octanol/air (Koa) model: 3.6E-010
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 5.11E-007
Mackay model : 1.13E-006
Octanol/air (Koa) model: 2.88E-008
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 65.1610 E-12 cm3/molecule-sec
Half-Life = 0.164 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 1.970 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):
8.22E-007 (Junge-Pankow, Mackay avg)
2.88E-008 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 1513 L/kg (MCI method)
Log Koc: 3.180 (MCI method)
Koc : 857.2 L/kg (Kow method)
Log Koc: 2.933 (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 v3.00):
Log BCF from regression-based method = 1.897 (BCF = 78.9 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 0.4383 days (HL = 2.743 days)
Log BCF Arnot-Gobas method (upper trophic) = 2.319 (BCF = 208.4)
Log BAF Arnot-Gobas method (upper trophic) = 2.319 (BAF = 208.6)
log Kow used: 3.38 (estimated)
Volatilization from Water:
Henry LC: 0.04 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 1.199 hours
Half-Life from Model Lake : 110.2 hours (4.593 days)
Removal In Wastewater Treatment:
Total removal: 94.18 percent
Total biodegradation: 0.04 percent
Total sludge adsorption: 5.73 percent
Total to Air: 88.41 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.862 1.02 1000
Water 48.2 360 1000
Soil 48.4 720 1000
Sediment 2.46 3.24e+003 0
Persistence Time: 128 hr