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CAS Num: 067919-67-9
SMILES : O(C1(C(C(C(C2)(CC3)C)(CC4)C)(C2)C3)C)C14
CHEM : 2H-4,7a-Ethanonaphth[1,2-b]oxirene, octahydro-3a,4,7b-trimethyl-
MOL FOR: C15 H24 O1
MOL WT : 220.36
------------------------------ 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) = 4.46
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
Boiling Pt (deg C): 254.46 (Adapted Stein & Brown method)
Melting Pt (deg C): 69.14 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.0133 (Modified Grain method)
VP (Pa, 25 deg C) : 1.78 (Modified Grain method)
Subcooled liquid VP: 0.0347 mm Hg (25 deg C, Mod-Grain method)
: 4.62 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 5.348
log Kow used: 4.46 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 5.615 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Epoxides, mono
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 4.10E-004 atm-m3/mole (4.15E+001 Pa-m3/mole)
Group Method: 2.18E-005 atm-m3/mole (2.21E+000 Pa-m3/mole)
For Henry LC Comparison Purposes:
User-Entered Henry LC: not entered
Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:
HLC: 7.211E-004 atm-m3/mole (7.306E+001 Pa-m3/mole)
VP: 0.0133 mm Hg (source: MPBPVP)
WS: 5.35 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 4.46 (KowWin est)
Log Kaw used: -1.776 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 6.236
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : -0.4404
Biowin2 (Non-Linear Model) : 0.0000
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 1.8551 (months )
Biowin4 (Primary Survey Model) : 2.9063 (weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.4803
Biowin6 (MITI Non-Linear Model): 0.3181
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -1.7974
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): 4.63 Pa (0.0347 mm Hg)
Log Koa (Koawin est ): 6.236
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 6.48E-007
Octanol/air (Koa) model: 4.23E-007
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 2.34E-005
Mackay model : 5.19E-005
Octanol/air (Koa) model: 3.38E-005
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 10.7034 E-12 cm3/molecule-sec
Half-Life = 0.999 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 11.992 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
3.76E-005 (Junge-Pankow, Mackay avg)
3.38E-005 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 4224 L/kg (MCI method)
Log Koc: 3.626 (MCI method)
Koc : 2002 L/kg (Kow method)
Log Koc: 3.301 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Total Ka (acid-catalyzed) at 25 deg C : 8.239E+000 L/mol-sec
Ka Half-Life at pH 7: 9.737 days
(Total Ka applies to epoxide(s) only)
Bioaccumulation Estimates (BCFBAF v3.00):
Log BCF from regression-based method = 2.608 (BCF = 405.6 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 0.7679 days (HL = 5.86 days)
Log BCF Arnot-Gobas method (upper trophic) = 3.119 (BCF = 1314)
Log BAF Arnot-Gobas method (upper trophic) = 3.137 (BAF = 1371)
log Kow used: 4.46 (estimated)
Volatilization from Water:
Henry LC: 0.00041 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 3.635 hours
Half-Life from Model Lake : 164.1 hours (6.838 days)
Removal In Wastewater Treatment:
Total removal: 58.65 percent
Total biodegradation: 0.46 percent
Total sludge adsorption: 51.10 percent
Total to Air: 7.09 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.936 24 1000
Water 7.69 1.44e+003 1000
Soil 89 2.88e+003 1000
Sediment 2.38 1.3e+004 0
Persistence Time: 1.44e+003 hr