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CAS Num: 000473-55-2


CHEM : Bicyclo 3.1.1 heptane, 2,6,6-trimethyl-

MOL FOR: C10 H18

MOL WT : 138.26

------------------------------ 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) = 4.35

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

Boiling Pt (deg C): 149.90 (Adapted Stein & Brown method)

Melting Pt (deg C): -24.53 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 2.19 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 292 (Mean VP of Antoine & Grain methods)

MP (exp database): -53 deg C

BP (exp database): 169 deg C

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

Water Solubility at 25 deg C (mg/L): 4.731

log Kow used: 4.35 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 0.58799 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 3.49E-001 atm-m3/mole (3.54E+004 Pa-m3/mole)

Group Method: 1.86E-001 atm-m3/mole (1.88E+004 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: 8.421E-002 atm-m3/mole (8.533E+003 Pa-m3/mole)

VP: 2.19 mm Hg (source: MPBPVP)

WS: 4.73 mg/L (source: WSKOWWIN)

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

Log Kow used: 4.35 (KowWin est)

Log Kaw used: 1.154 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 3.196

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.4978

Biowin2 (Non-Linear Model) : 0.3368

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.6815 (weeks-months)

Biowin4 (Primary Survey Model) : 3.4948 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.4662

Biowin6 (MITI Non-Linear Model): 0.3347

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.0214

Ready Biodegradability Prediction: NO

Hydrocarbon Biodegradation (BioHCwin v1.01):

LOG BioHC Half-Life (days) : 1.8033

BioHC Half-Life (days) : 63.5732

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

Vapor pressure (liquid/subcooled): 267 Pa (2 mm Hg)

Log Koa (Koawin est ): 3.196

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

Mackay model : 1.12E-008

Octanol/air (Koa) model: 3.85E-010

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 4.06E-007

Mackay model : 9E-007

Octanol/air (Koa) model: 3.08E-008

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 8.6803 E-12 cm3/molecule-sec

Half-Life = 1.232 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 14.787 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

6.53E-007 (Junge-Pankow, Mackay avg)

3.08E-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 : 5956 L/kg (Kow method)

Log Koc: 3.775 (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 = 2.540 (BCF = 346.5 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 0.8577 days (HL = 7.205 days)

Log BCF Arnot-Gobas method (upper trophic) = 3.112 (BCF = 1293)

Log BAF Arnot-Gobas method (upper trophic) = 3.133 (BAF = 1357)

log Kow used: 4.35 (estimated)

Volatilization from Water:

Henry LC: 0.349 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 1.202 hours

Half-Life from Model Lake : 111.7 hours (4.654 days)

Removal In Wastewater Treatment (recommended maximum 95%):

Total removal: 99.43 percent

Total biodegradation: 0.10 percent

Total sludge adsorption: 28.46 percent

Total to Air: 70.87 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 17.3 19.2 1000

Water 72.6 900 1000

Soil 5.98 1.8e+003 1000

Sediment 4.11 8.1e+003 0

Persistence Time: 108 hr

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