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CAS Num: 000529-16-8

SMILES : C(C(C1)C=2C)C(C1)C2C

CHEM : BICYCLO[2.2.1]HEPT-2-ENE, 2,3-DIMETHYL-

MOL FOR: C9 H14

MOL WT : 122.21

------------------------------ 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) = 3.94

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

Boiling Pt (deg C): 151.37 (Adapted Stein & Brown method)

Melting Pt (deg C): -24.54 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 7.79 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 1.04E+003 (Mean VP of Antoine & Grain methods)

BP (exp database): 140.5 deg C

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

Water Solubility at 25 deg C (mg/L): 12.23

log Kow used: 3.94 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 11.551 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 9.52E-002 atm-m3/mole (9.65E+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: 1.024E-001 atm-m3/mole (1.038E+004 Pa-m3/mole)

VP: 7.79 mm Hg (source: MPBPVP)

WS: 12.2 mg/L (source: WSKOWWIN)

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

Log Kow used: 3.94 (KowWin est)

Log Kaw used: 0.590 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 3.350

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.6894

Biowin2 (Non-Linear Model) : 0.7813

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.9291 (weeks )

Biowin4 (Primary Survey Model) : 3.6714 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.4335

Biowin6 (MITI Non-Linear Model): 0.3745

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.3958

Ready Biodegradability Prediction: NO

Hydrocarbon Biodegradation (BioHCwin v1.01):

LOG BioHC Half-Life (days) : 1.1984

BioHC Half-Life (days) : 15.7916

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

Vapor pressure (liquid/subcooled): 959 Pa (7.19 mm Hg)

Log Koa (Koawin est ): 3.350

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

Mackay model : 3.13E-009

Octanol/air (Koa) model: 5.5E-010

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 1.13E-007

Mackay model : 2.5E-007

Octanol/air (Koa) model: 4.4E-008

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 115.0639 E-12 cm3/molecule-sec

Half-Life = 0.093 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 1.115 Hrs

Ozone Reaction:

OVERALL Ozone Rate Constant = 576.712463 E-17 cm3/molecule-sec

Half-Life = 0.002 Days (at 7E11 mol/cm3)

Half-Life = 2.861 Min

Fraction sorbed to airborne particulates (phi):

1.82E-007 (Junge-Pankow, Mackay avg)

4.4E-008 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 342 L/kg (MCI method)

Log Koc: 2.534 (MCI method)

Koc : 2625 L/kg (Kow method)

Log Koc: 3.419 (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 = 2.270 (BCF = 186.1 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 0.8138 days (HL = 6.513 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.837 (BCF = 686.8)

Log BAF Arnot-Gobas method (upper trophic) = 2.844 (BAF = 698)

log Kow used: 3.94 (estimated)

Volatilization from Water:

Henry LC: 0.0952 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 1.135 hours

Half-Life from Model Lake : 105.1 hours (4.378 days)

Removal In Wastewater Treatment (recommended maximum 95%):

Total removal: 97.68 percent

Total biodegradation: 0.07 percent

Total sludge adsorption: 15.89 percent

Total to Air: 81.72 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.0778 0.0467 1000

Water 87.6 360 1000

Soil 11.1 720 1000

Sediment 1.26 3.24e+003 0

Persistence Time: 70.3 hr

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