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CAS Num: 001137-12-8

SMILES : C(C(C12)C23C)C(C1C(C4)(C)C)C3(CC4)C

CHEM : 1,2,4-Methenoazulene, decahydro-1,5,5,8a-tetramethyl-, [1S-(1.alpha.,

2.alpha.,3a.beta.,4.alpha.,8a.beta.,9R*)]- (9CI)

MOL FOR: C15 H24

MOL WT : 204.36

------------------------------ 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) = 5.60

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

Boiling Pt (deg C): 227.45 (Adapted Stein & Brown method)

Melting Pt (deg C): 44.34 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.0859 (Modified Grain method)

VP (Pa, 25 deg C) : 11.5 (Modified Grain method)

Subcooled liquid VP: 0.129 mm Hg (25 deg C, Mod-Grain method)

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

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

Water Solubility at 25 deg C (mg/L): 0.1974

log Kow used: 5.60 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 0.0040156 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 2.80E-001 atm-m3/mole (2.84E+004 Pa-m3/mole)

Group Method: 2.39E-002 atm-m3/mole (2.42E+003 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: 1.170E-001 atm-m3/mole (1.186E+004 Pa-m3/mole)

VP: 0.0859 mm Hg (source: MPBPVP)

WS: 0.197 mg/L (source: WSKOWWIN)

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

Log Kow used: 5.60 (KowWin est)

Log Kaw used: 1.059 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 4.541

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.0985

Biowin2 (Non-Linear Model) : 0.0063

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.1112 (months )

Biowin4 (Primary Survey Model) : 3.0926 (weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.4374

Biowin6 (MITI Non-Linear Model): 0.1583

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.8071

Ready Biodegradability Prediction: NO

Hydrocarbon Biodegradation (BioHCwin v1.01):

LOG BioHC Half-Life (days) : 1.5993

BioHC Half-Life (days) : 39.7455

Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:

Vapor pressure (liquid/subcooled): 17.2 Pa (0.129 mm Hg)

Log Koa (Koawin est ): 4.541

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

Mackay model : 1.74E-007

Octanol/air (Koa) model: 8.53E-009

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 6.3E-006

Mackay model : 1.4E-005

Octanol/air (Koa) model: 6.82E-007

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 9.3520 E-12 cm3/molecule-sec

Half-Life = 1.144 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 13.725 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

1.01E-005 (Junge-Pankow, Mackay avg)

6.82E-007 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 1.628E+004 L/kg (MCI method)

Log Koc: 4.212 (MCI method)

Koc : 7.242E+004 L/kg (Kow method)

Log Koc: 4.860 (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 = 3.365 (BCF = 2317 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 1.0448 days (HL = 11.09 days)

Log BCF Arnot-Gobas method (upper trophic) = 3.542 (BCF = 3480)

Log BAF Arnot-Gobas method (upper trophic) = 3.989 (BAF = 9747)

log Kow used: 5.60 (estimated)

Volatilization from Water:

Henry LC: 0.28 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 1.462 hours

Half-Life from Model Lake : 135.8 hours (5.659 days)

Removal In Wastewater Treatment (recommended maximum 95%):

Total removal: 99.16 percent

Total biodegradation: 0.21 percent

Total sludge adsorption: 58.89 percent

Total to Air: 40.05 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 7.54 27.5 1000

Water 26.6 1.44e+003 1000

Soil 33.5 2.88e+003 1000

Sediment 32.4 1.3e+004 0

Persistence Time: 317 hr

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