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CAS Number: 2009-00-9

SMILES : CC(C)C12CCC(=C)C1C2

CHEM : (1R,5R)-2-methylidene-5-propan-2-ylbicyclo[3.1.0]hexane

MOL FOR: C10 H16

MOL WT : 136.24

------------------------------ EPI SUMMARY (v4.00) --------------------------

Physical Property Inputs:

Log Kow (octanol-water): ------

Boiling Point (deg C) : ------

Melting Point (deg C) : ------

Vapor Pressure (mm Hg) : ------

Water Solubility (mg/L): ------

Henry LC (atm-m3/mole) : ------

Log Octanol-Water Partition Coef (SRC):

Log Kow (KOWWIN v1.67 estimate) = 4.69

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

Boiling Pt (deg C): 141.81 (Adapted Stein & Brown method)

Melting Pt (deg C): -21.55 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 7.36 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 981 (Mean VP of Antoine & Grain methods)

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

Water Solubility at 25 deg C (mg/L): 2.494

log Kow used: 4.69 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 2.6192 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 1.61E-001 atm-m3/mole (1.63E+004 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: 5.290E-001 atm-m3/mole (5.360E+004 Pa-m3/mole)

VP: 7.36 mm Hg (source: MPBPVP)

WS: 2.49 mg/L (source: WSKOWWIN)

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

Log Kow used: 4.69 (KowWin est)

Log Kaw used: 0.818 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 3.872

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.4988

Biowin2 (Non-Linear Model) : 0.3432

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.6860 (weeks-months)

Biowin4 (Primary Survey Model) : 3.4977 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.4086

Biowin6 (MITI Non-Linear Model): 0.3936

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.2908

Ready Biodegradability Prediction: NO

Hydrocarbon Biodegradation (BioHCwin v1.01):

LOG BioHC Half-Life (days) : 2.1234

BioHC Half-Life (days) : 132.8706

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

Vapor pressure (liquid/subcooled): 905 Pa (6.79 mm Hg)

Log Koa (Koawin est ): 3.872

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

Mackay model : 3.31E-009

Octanol/air (Koa) model: 1.83E-009

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 1.2E-007

Mackay model : 2.65E-007

Octanol/air (Koa) model: 1.46E-007

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 55.8262 E-12 cm3/molecule-sec

Half-Life = 0.192 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 2.299 Hrs

Ozone Reaction:

OVERALL Ozone Rate Constant = 1.200000 E-17 cm3/molecule-sec

Half-Life = 0.955 Days (at 7E11 mol/cm3)

Half-Life = 22.920 Hrs

Fraction sorbed to airborne particulates (phi):

1.92E-007 (Junge-Pankow, Mackay avg)

1.46E-007 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 1077 L/kg (MCI method)

Log Koc: 3.032 (MCI method)

Koc : 1.175E+004 L/kg (Kow method)

Log Koc: 4.070 (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 = 2.761 (BCF = 576.8 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 0.7021 days (HL = 5.036 days)

Log BCF Arnot-Gobas method (upper trophic) = 3.159 (BCF = 1442)

Log BAF Arnot-Gobas method (upper trophic) = 3.183 (BAF = 1523)

log Kow used: 4.69 (estimated)

Volatilization from Water:

Henry LC: 0.161 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 1.195 hours

Half-Life from Model Lake : 110.9 hours (4.621 days)

Removal In Wastewater Treatment (recommended maximum 95%):

Total removal: 98.90 percent

Total biodegradation: 0.14 percent

Total sludge adsorption: 40.39 percent

Total to Air: 58.37 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 1.65 1.33 1000

Water 79.6 900 1000

Soil 14 1.8e+003 1000

Sediment 4.76 8.1e+003 0

Persistence Time: 98.2 hr

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