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CAS Num: 068683-22-7
SMILES : O=COC1CC(C2)C3C=CCC3C12
CHEM : 4,7-Methano-1H-indenol, 3a,4,5,6,7,7a-hexahydro-, formate
MOL FOR: C11 H14 O2
MOL WT : 178.23
------------------------------ 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) = 2.30
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
Boiling Pt (deg C): 234.20 (Adapted Stein & Brown method)
Melting Pt (deg C): 32.47 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.0511 (Modified Grain method)
VP (Pa, 25 deg C) : 6.81 (Modified Grain method)
Subcooled liquid VP: 0.0596 mm Hg (25 deg C, Mod-Grain method)
: 7.95 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 610.3
log Kow used: 2.30 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 51.48 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Esters
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 2.32E-004 atm-m3/mole (2.35E+001 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: 1.964E-005 atm-m3/mole (1.990E+000 Pa-m3/mole)
VP: 0.0511 mm Hg (source: MPBPVP)
WS: 610 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 2.30 (KowWin est)
Log Kaw used: -2.023 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 4.323
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.8369
Biowin2 (Non-Linear Model) : 0.9896
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.9455 (weeks )
Biowin4 (Primary Survey Model) : 3.8196 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.6594
Biowin6 (MITI Non-Linear Model): 0.4865
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.6981
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): 7.95 Pa (0.0596 mm Hg)
Log Koa (Koawin est ): 4.323
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 3.78E-007
Octanol/air (Koa) model: 5.16E-009
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 1.36E-005
Mackay model : 3.02E-005
Octanol/air (Koa) model: 4.13E-007
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 67.2621 E-12 cm3/molecule-sec
Half-Life = 0.159 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 1.908 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):
2.19E-005 (Junge-Pankow, Mackay avg)
4.13E-007 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 434.7 L/kg (MCI method)
Log Koc: 2.638 (MCI method)
Koc : 135.4 L/kg (Kow method)
Log Koc: 2.132 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Total Kb for pH > 8 at 25 deg C : 3.697E+000 L/mol-sec
Kb Half-Life at pH 8: 2.170 days
Kb Half-Life at pH 7: 21.696 days
(Total Kb applies only to esters, carbmates, alkyl halides)
Bioaccumulation Estimates (BCFBAF v3.00):
Log BCF from regression-based method = 1.184 (BCF = 15.29 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -0.8507 days (HL = 0.141 days)
Log BCF Arnot-Gobas method (upper trophic) = 1.171 (BCF = 14.82)
Log BAF Arnot-Gobas method (upper trophic) = 1.171 (BAF = 14.82)
log Kow used: 2.30 (estimated)
Volatilization from Water:
Henry LC: 0.000232 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 4.731 hours
Half-Life from Model Lake : 163.6 hours (6.815 days)
Removal In Wastewater Treatment:
Total removal: 12.31 percent
Total biodegradation: 0.09 percent
Total sludge adsorption: 2.35 percent
Total to Air: 9.87 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.169 1.01 1000
Water 20.9 360 1000
Soil 78.6 720 1000
Sediment 0.366 3.24e+003 0
Persistence Time: 393 hr