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CAS Num: 029461-13-0

SMILES : C1C23CCC1C(C)(C)C2C(=O)CCC3(C)C

CHEM : 2H-2,4a-Methanonaphthalen-8(5H)-one, hexahydro-1,1,5,5-tetramethyl-,

(2a,4aa,8 )-

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) = 3.81

Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):

Boiling Pt (deg C): 282.66 (Adapted Stein & Brown method)

Melting Pt (deg C): 79.51 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.00259 (Modified Grain method)

VP (Pa, 25 deg C) : 0.346 (Modified Grain method)

Subcooled liquid VP: 0.00857 mm Hg (25 deg C, Mod-Grain method)

: 1.14 Pa (25 deg C, Mod-Grain method)

Water Solubility Estimate from Log Kow (WSKOW v1.41):

Water Solubility at 25 deg C (mg/L): 18.94

log Kow used: 3.81 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 8.3302 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:

Bond Method : 1.27E-004 atm-m3/mole (1.29E+001 Pa-m3/mole)

Group Method: 1.23E-005 atm-m3/mole (1.24E+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: 3.965E-005 atm-m3/mole (4.017E+000 Pa-m3/mole)

VP: 0.00259 mm Hg (source: MPBPVP)

WS: 18.9 mg/L (source: WSKOWWIN)

Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:

Log Kow used: 3.81 (KowWin est)

Log Kaw used: -2.285 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 6.095

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.0977

Biowin2 (Non-Linear Model) : 0.0032

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.0534 (months )

Biowin4 (Primary Survey Model) : 3.0473 (weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.5023

Biowin6 (MITI Non-Linear Model): 0.3092

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -1.3980

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): 1.14 Pa (0.00857 mm Hg)

Log Koa (Koawin est ): 6.095

Kp (particle/gas partition coef. (m3/ug)):

Mackay model : 2.63E-006

Octanol/air (Koa) model: 3.05E-007

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 9.48E-005

Mackay model : 0.00021

Octanol/air (Koa) model: 2.44E-005

Atmospheric Oxidation (25 deg C) [AopWin v1.92]:

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 11.2861 E-12 cm3/molecule-sec

Half-Life = 0.948 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 11.373 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.000152 (Junge-Pankow, Mackay avg)

2.44E-005 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 1917 L/kg (MCI method)

Log Koc: 3.283 (MCI method)

Koc : 1691 L/kg (Kow method)

Log Koc: 3.228 (Kow method)

Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:

Rate constants can NOT be estimated for this structure!

Bioaccumulation Estimates (BCFBAF v3.00):

Log BCF from regression-based method = 2.184 (BCF = 152.7 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 0.1294 days (HL = 1.347 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.492 (BCF = 310.5)

Log BAF Arnot-Gobas method (upper trophic) = 2.492 (BAF = 310.7)

log Kow used: 3.81 (estimated)

Volatilization from Water:

Henry LC: 1.23E-005 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 72.18 hours (3.007 days)

Half-Life from Model Lake : 911.8 hours (37.99 days)

Removal In Wastewater Treatment:

Total removal: 22.67 percent

Total biodegradation: 0.26 percent

Total sludge adsorption: 21.88 percent

Total to Air: 0.53 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.549 22.7 1000

Water 13.4 1.44e+003 1000

Soil 84.3 2.88e+003 1000

Sediment 1.77 1.3e+004 0

Persistence Time: 1.6e+003 hr

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