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CAS Num: 007158-25-0

SMILES : C(C(C(C(C(C=CC12)C1)C23)C4)C=C5)(C34)C5

CHEM : 4,9:5,8-Dimethano-1H-benz f indene, 3a,4,4a,5,8,8a,9,9a-octahydro-

MOL FOR: C15 H18

MOL WT : 198.31

------------------------------ 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) = 4.76

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

Boiling Pt (deg C): 264.69 (Adapted Stein & Brown method)

Melting Pt (deg C): 52.52 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.0117 (Modified Grain method)

VP (Pa, 25 deg C) : 1.56 (Modified Grain method)

Subcooled liquid VP: 0.021 mm Hg (25 deg C, Mod-Grain method)

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

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

Water Solubility at 25 deg C (mg/L): 1.117

log Kow used: 4.76 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 0.073702 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 5.01E-002 atm-m3/mole (5.08E+003 Pa-m3/mole)

Group Method: Incomplete

For Henry LC Comparison Purposes:

User-Entered Henry LC: not entered

Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:

HLC: 2.733E-003 atm-m3/mole (2.769E+002 Pa-m3/mole)

VP: 0.0117 mm Hg (source: MPBPVP)

WS: 1.12 mg/L (source: WSKOWWIN)

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

Log Kow used: 4.76 (KowWin est)

Log Kaw used: 0.311 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 4.449

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.6531

Biowin2 (Non-Linear Model) : 0.5480

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.7609 (weeks )

Biowin4 (Primary Survey Model) : 3.5616 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.3057

Biowin6 (MITI Non-Linear Model): 0.0319

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.4976

Ready Biodegradability Prediction: NO

Hydrocarbon Biodegradation (BioHCwin v1.01):

LOG BioHC Half-Life (days) : 2.6420

BioHC Half-Life (days) : 438.5736

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

Vapor pressure (liquid/subcooled): 2.8 Pa (0.021 mm Hg)

Log Koa (Koawin est ): 4.449

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

Mackay model : 1.07E-006

Octanol/air (Koa) model: 6.9E-009

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 3.87E-005

Mackay model : 8.57E-005

Octanol/air (Koa) model: 5.52E-007

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 125.6928 E-12 cm3/molecule-sec

Half-Life = 0.085 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 1.021 Hrs

Ozone Reaction:

OVERALL Ozone Rate Constant = 40.000000 E-17 cm3/molecule-sec

Half-Life = 0.029 Days (at 7E11 mol/cm3)

Half-Life = 41.256 Min

Fraction sorbed to airborne particulates (phi):

6.22E-005 (Junge-Pankow, Mackay avg)

5.52E-007 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 2.982E+004 L/kg (MCI method)

Log Koc: 4.474 (MCI method)

Koc : 1.351E+004 L/kg (Kow method)

Log Koc: 4.131 (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 = 2.807 (BCF = 641.7 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 1.7126 days (HL = 51.6 days)

Log BCF Arnot-Gobas method (upper trophic) = 3.617 (BCF = 4138)

Log BAF Arnot-Gobas method (upper trophic) = 4.090 (BAF = 1.23e+004)

log Kow used: 4.76 (estimated)

Volatilization from Water:

Henry LC: 0.0501 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 1.453 hours

Half-Life from Model Lake : 133.9 hours (5.581 days)

Removal In Wastewater Treatment (recommended maximum 95%):

Total removal: 96.76 percent

Total biodegradation: 0.18 percent

Total sludge adsorption: 44.39 percent

Total to Air: 52.19 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.107 0.514 1000

Water 16 360 1000

Soil 70.4 720 1000

Sediment 13.6 3.24e+003 0

Persistence Time: 380 hr

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