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CAS Number: 80748-58-9


CHEM : 1-(2,3,3-trimethyl-4-bicyclo[2.2.1]heptanyl)cyclohexan-1-ol

MOL FOR: C16 H28 O1

MOL WT : 236.40

------------------------------ 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) = 5.57

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

Boiling Pt (deg C): 302.58 (Adapted Stein & Brown method)

Melting Pt (deg C): 87.44 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 2.87E-005 (Modified Grain method)

VP (Pa, 25 deg C) : 0.00383 (Modified Grain method)

Subcooled liquid VP: 0.000114 mm Hg (25 deg C, Mod-Grain method)

: 0.0152 Pa (25 deg C, Mod-Grain method)

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

Water Solubility at 25 deg C (mg/L): 1.577

log Kow used: 5.57 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 6.6759 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 1.62E-005 atm-m3/mole (1.64E+000 Pa-m3/mole)

Group Method: 2.08E-006 atm-m3/mole (2.11E-001 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: 5.661E-006 atm-m3/mole (5.736E-001 Pa-m3/mole)

VP: 2.87E-005 mm Hg (source: MPBPVP)

WS: 1.58 mg/L (source: WSKOWWIN)

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

Log Kow used: 5.57 (KowWin est)

Log Kaw used: -3.179 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 8.749

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.0832

Biowin2 (Non-Linear Model) : 0.0040

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.0404 (months )

Biowin4 (Primary Survey Model) : 3.0463 (weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.3956

Biowin6 (MITI Non-Linear Model): 0.1962

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -1.2865

Ready Biodegradability Prediction: NO

Hydrocarbon Biodegradation (BioHCwin v1.01):

Structure incompatible with current estimation method!

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

Vapor pressure (liquid/subcooled): 0.0152 Pa (0.000114 mm Hg)

Log Koa (Koawin est ): 8.749

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

Mackay model : 0.000197

Octanol/air (Koa) model: 0.000138

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.00708

Mackay model : 0.0155

Octanol/air (Koa) model: 0.0109

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 19.3566 E-12 cm3/molecule-sec

Half-Life = 0.553 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 6.631 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.0113 (Junge-Pankow, Mackay avg)

0.0109 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 2605 L/kg (MCI method)

Log Koc: 3.416 (MCI method)

Koc : 3932 L/kg (Kow method)

Log Koc: 3.595 (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 = 3.345 (BCF = 2214 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 0.8529 days (HL = 7.128 days)

Log BCF Arnot-Gobas method (upper trophic) = 3.383 (BCF = 2415)

Log BAF Arnot-Gobas method (upper trophic) = 3.638 (BAF = 4344)

log Kow used: 5.57 (estimated)

Volatilization from Water:

Henry LC: 2.08E-006 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 434.4 hours (18.1 days)

Half-Life from Model Lake : 4867 hours (202.8 days)

Removal In Wastewater Treatment:

Total removal: 89.10 percent

Total biodegradation: 0.75 percent

Total sludge adsorption: 88.35 percent

Total to Air: 0.01 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.318 13.3 1000

Water 13.6 1.44e+003 1000

Soil 83.6 2.88e+003 1000

Sediment 2.47 1.3e+004 0

Persistence Time: 1.66e+003 hr

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