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CAS Number: 4080-46-0


CHEM : 7,7-dimethyl-2-methylidenebicyclo[3.1.1]hept-3-ene

MOL FOR: C10 H14

MOL WT : 134.22

------------------------------ 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) = 4.13

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

Boiling Pt (deg C): 153.69 (Adapted Stein & Brown method)

Melting Pt (deg C): -14.08 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 4.36 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 581 (Mean VP of Antoine & Grain methods)

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

Water Solubility at 25 deg C (mg/L): 7.599

log Kow used: 4.13 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 15.725 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 1.16E-001 atm-m3/mole (1.17E+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: 1.013E-001 atm-m3/mole (1.027E+004 Pa-m3/mole)

VP: 4.36 mm Hg (source: MPBPVP)

WS: 7.6 mg/L (source: WSKOWWIN)

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

Log Kow used: 4.13 (KowWin est)

Log Kaw used: 0.676 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 3.454

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.4997

Biowin2 (Non-Linear Model) : 0.3497

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.6904 (weeks-months)

Biowin4 (Primary Survey Model) : 3.5006 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.4506

Biowin6 (MITI Non-Linear Model): 0.3058

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.0075

Ready Biodegradability Prediction: NO

Hydrocarbon Biodegradation (BioHCwin v1.01):

LOG BioHC Half-Life (days) : 1.6688

BioHC Half-Life (days) : 46.6495

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

Vapor pressure (liquid/subcooled): 533 Pa (4 mm Hg)

Log Koa (Koawin est ): 3.454

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

Mackay model : 5.62E-009

Octanol/air (Koa) model: 6.98E-010

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 2.03E-007

Mackay model : 4.5E-007

Octanol/air (Koa) model: 5.59E-008

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 144.3738 E-12 cm3/molecule-sec

Half-Life = 0.074 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 0.889 Hrs

Ozone Reaction:

OVERALL Ozone Rate Constant = 18.000000 E-17 cm3/molecule-sec

Half-Life = 0.064 Days (at 7E11 mol/cm3)

Half-Life = 1.528 Hrs

Reaction With Nitrate Radicals May Be Important!

Fraction sorbed to airborne particulates (phi):

3.27E-007 (Junge-Pankow, Mackay avg)

5.59E-008 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 1020 L/kg (MCI method)

Log Koc: 3.009 (MCI method)

Koc : 3837 L/kg (Kow method)

Log Koc: 3.584 (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 = 2.393 (BCF = 247.4 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 0.7450 days (HL = 5.559 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.941 (BCF = 872.7)

Log BAF Arnot-Gobas method (upper trophic) = 2.949 (BAF = 889.2)

log Kow used: 4.13 (estimated)

Volatilization from Water:

Henry LC: 0.116 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 1.188 hours

Half-Life from Model Lake : 110.1 hours (4.588 days)

Removal In Wastewater Treatment (recommended maximum 95%):

Total removal: 98.18 percent

Total biodegradation: 0.08 percent

Total sludge adsorption: 21.41 percent

Total to Air: 76.69 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.988 0.822 1000

Water 77.1 900 1000

Soil 17.5 1.8e+003 1000

Sediment 4.37 8.1e+003 0

Persistence Time: 101 hr

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