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CAS Number: 2500-83-6
SMILES : O=C(OC(C(C(C(C12)CC=3)C3)C1)C2)C
CHEM : 4,7-Methano-1H-inden-5-ol, 3a,4,5,6,7,7a-hexahydro-, acetate
MOL FOR: C12 H16 O2
MOL WT : 192.26
------------------------------ 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) = 2.85
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 250.43 (Adapted Stein & Brown method)
Melting Pt (deg C): 34.66 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.0213 (Modified Grain method)
VP (Pa, 25 deg C) : 2.84 (Modified Grain method)
Subcooled liquid VP: 0.026 mm Hg (25 deg C, Mod-Grain method)
: 3.47 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 177.4
log Kow used: 2.85 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 26.501 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Esters
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 1.69E-004 atm-m3/mole (1.72E+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: 3.037E-005 atm-m3/mole (3.078E+000 Pa-m3/mole)
VP: 0.0213 mm Hg (source: MPBPVP)
WS: 177 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 2.85 (KowWin est)
Log Kaw used: -2.161 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 5.011
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.8302
Biowin2 (Non-Linear Model) : 0.9874
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.9145 (weeks )
Biowin4 (Primary Survey Model) : 3.7993 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.6181
Biowin6 (MITI Non-Linear Model): 0.3918
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.6185
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): 3.47 Pa (0.026 mm Hg)
Log Koa (Koawin est ): 5.011
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 8.65E-007
Octanol/air (Koa) model: 2.52E-008
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 3.13E-005
Mackay model : 6.92E-005
Octanol/air (Koa) model: 2.01E-006
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 67.3043 E-12 cm3/molecule-sec
Half-Life = 0.159 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 1.907 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):
5.02E-005 (Junge-Pankow, Mackay avg)
2.01E-006 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 666.4 L/kg (MCI method)
Log Koc: 2.824 (MCI method)
Koc : 272.9 L/kg (Kow method)
Log Koc: 2.436 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Total Kb for pH > 8 at 25 deg C : 3.014E-002 L/mol-sec
Kb Half-Life at pH 8: 266.184 days
Kb Half-Life at pH 7: 7.288 years
(Total Kb applies only to esters, carbmates, alkyl halides)
Bioaccumulation Estimates (BCFBAF v3.01):
Log BCF from regression-based method = 1.545 (BCF = 35.11 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -0.4734 days (HL = 0.3362 days)
Log BCF Arnot-Gobas method (upper trophic) = 1.680 (BCF = 47.91)
Log BAF Arnot-Gobas method (upper trophic) = 1.680 (BAF = 47.91)
log Kow used: 2.85 (estimated)
Volatilization from Water:
Henry LC: 0.000169 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 6.219 hours
Half-Life from Model Lake : 184.1 hours (7.671 days)
Removal In Wastewater Treatment:
Total removal: 11.82 percent
Total biodegradation: 0.11 percent
Total sludge adsorption: 4.28 percent
Total to Air: 7.44 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.151 1.01 1000
Water 20.7 360 1000
Soil 78.7 720 1000
Sediment 0.517 3.24e+003 0
Persistence Time: 414 hr