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CAS Num: 067999-56-8
SMILES : O(C1(C(CC2C3)(C(CC4)(C)C)C3)C2(C)C)C14
CHEM : 4a,7-Methano-4aH-naphth 1,8a-b oxirene, octahydro-4,4,8,8-tetramethyl
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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) = 4.38
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
Boiling Pt (deg C): 247.81 (Adapted Stein & Brown method)
Melting Pt (deg C): 66.05 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.0198 (Modified Grain method)
VP (Pa, 25 deg C) : 2.64 (Modified Grain method)
Subcooled liquid VP: 0.048 mm Hg (25 deg C, Mod-Grain method)
: 6.4 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 6.18
log Kow used: 4.38 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 3.6411 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: 2.62E-005 atm-m3/mole (2.66E+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: 9.290E-004 atm-m3/mole (9.413E+001 Pa-m3/mole)
VP: 0.0198 mm Hg (source: MPBPVP)
WS: 6.18 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 4.38 (KowWin est)
Log Kaw used: -1.776 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 6.156
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) : 0.4537
Biowin6 (MITI Non-Linear Model): 0.2066
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -1.5975
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): 6.4 Pa (0.048 mm Hg)
Log Koa (Koawin est ): 6.156
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 4.69E-007
Octanol/air (Koa) model: 3.52E-007
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 1.69E-005
Mackay model : 3.75E-005
Octanol/air (Koa) model: 2.81E-005
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 8.3803 E-12 cm3/molecule-sec
Half-Life = 1.276 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 15.316 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
2.72E-005 (Junge-Pankow, Mackay avg)
2.81E-005 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 3737 L/kg (MCI method)
Log Koc: 3.573 (MCI method)
Koc : 1808 L/kg (Kow method)
Log Koc: 3.257 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Total Ka (acid-catalyzed) at 25 deg C : 1.713E-003 L/mol-sec
Ka Half-Life at pH 7: 128.225 years
(Total Ka applies to epoxide(s) only)
Bioaccumulation Estimates (BCFBAF v3.00):
Log BCF from regression-based method = 2.560 (BCF = 362.7 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 0.3780 days (HL = 2.388 days)
Log BCF Arnot-Gobas method (upper trophic) = 2.852 (BCF = 711.8)
Log BAF Arnot-Gobas method (upper trophic) = 2.855 (BAF = 716.7)
log Kow used: 4.38 (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: 55.09 percent
Total biodegradation: 0.43 percent
Total sludge adsorption: 46.86 percent
Total to Air: 7.81 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 1.13 30.6 1000
Water 7.79 1.44e+003 1000
Soil 89 2.88e+003 1000
Sediment 2.11 1.3e+004 0
Persistence Time: 1.43e+003 hr