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: 6316-16-1
SMILES : O=C(C(C(C(C12)CC=3)C3)C1)C2
CHEM : 4,7-Methano-5H-inden-5-one, 1,3a,4,6,7,7a-hexahydro-
MOL FOR: C10 H12 O1
MOL WT : 148.21
------------------------------ 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) = 2.03
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 229.83 (Adapted Stein & Brown method)
Melting Pt (deg C): 32.44 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.0986 (Modified Grain method)
VP (Pa, 25 deg C) : 13.1 (Modified Grain method)
Subcooled liquid VP: 0.115 mm Hg (25 deg C, Mod-Grain method)
: 15.3 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 1414
log Kow used: 2.03 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 437.48 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 2.71E-005 atm-m3/mole (2.75E+000 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: 1.360E-005 atm-m3/mole (1.378E+000 Pa-m3/mole)
VP: 0.0986 mm Hg (source: MPBPVP)
WS: 1.41E+003 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 2.03 (KowWin est)
Log Kaw used: -2.955 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 4.985
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.6838
Biowin2 (Non-Linear Model) : 0.6109
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.8492 (weeks )
Biowin4 (Primary Survey Model) : 3.6117 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.5103
Biowin6 (MITI Non-Linear Model): 0.3384
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.0949
Ready Biodegradability Prediction: YES
Hydrocarbon Biodegradation (BioHCwin v1.01):
Structure incompatible with current estimation method!
Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
Vapor pressure (liquid/subcooled): 15.3 Pa (0.115 mm Hg)
Log Koa (Koawin est ): 4.985
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 1.96E-007
Octanol/air (Koa) model: 2.37E-008
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 7.07E-006
Mackay model : 1.57E-005
Octanol/air (Koa) model: 1.9E-006
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 70.4025 E-12 cm3/molecule-sec
Half-Life = 0.152 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 1.823 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):
1.14E-005 (Junge-Pankow, Mackay avg)
1.9E-006 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 184.1 L/kg (MCI method)
Log Koc: 2.265 (MCI method)
Koc : 175.2 L/kg (Kow method)
Log Koc: 2.244 (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 = 1.009 (BCF = 10.22 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -0.2873 days (HL = 0.516 days)
Log BCF Arnot-Gobas method (upper trophic) = 1.057 (BCF = 11.41)
Log BAF Arnot-Gobas method (upper trophic) = 1.057 (BAF = 11.41)
log Kow used: 2.03 (estimated)
Volatilization from Water:
Henry LC: 2.71E-005 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 27.54 hours (1.148 days)
Half-Life from Model Lake : 402.6 hours (16.77 days)
Removal In Wastewater Treatment:
Total removal: 3.71 percent
Total biodegradation: 0.09 percent
Total sludge adsorption: 2.15 percent
Total to Air: 1.46 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.123 0.999 1000
Water 25.7 360 1000
Soil 74 720 1000
Sediment 0.23 3.24e+003 0
Persistence Time: 430 hr