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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


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

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