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CAS Number: 67845-36-7

SMILES : O(C(C(O)C(C(C(C(C1C2)(C)C)(C2)C)C1)CC3)C3)C

CHEM : Cyclohexanol, 2-methoxy-6-(1,7,7-trimethylbicyclo 2.2.1 hept-2-yl)-

MOL FOR: C17 H30 O2

MOL WT : 266.43

------------------------------ EPI SUMMARY (v4.11) --------------------------

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 v1.68 estimate) = 4.70

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

Boiling Pt (deg C): 335.50 (Adapted Stein & Brown method)

Melting Pt (deg C): 108.76 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 2.04E-006 (Modified Grain method)

VP (Pa, 25 deg C) : 0.000272 (Modified Grain method)

Subcooled liquid VP: 1.35E-005 mm Hg (25 deg C, Mod-Grain method)

: 0.0018 Pa (25 deg C, Mod-Grain method)

Water Solubility Estimate from Log Kow (WSKOW v1.42):

Water Solubility at 25 deg C (mg/L): 6.004

log Kow used: 4.70 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 30.425 mg/L

ECOSAR Class Program (ECOSAR v1.11):

Class(es) found:

Neutral Organics

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

Bond Method : 1.89E-007 atm-m3/mole (1.92E-002 Pa-m3/mole)

Group Method: 1.02E-008 atm-m3/mole (1.03E-003 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: 1.191E-007 atm-m3/mole (1.207E-002 Pa-m3/mole)

VP: 2.04E-006 mm Hg (source: MPBPVP)

WS: 6 mg/L (source: WSKOWWIN)

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

Log Kow used: 4.70 (KowWin est)

Log Kaw used: -5.112 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 9.812

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.0642

Biowin2 (Non-Linear Model) : 0.0015

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.3375 (weeks-months)

Biowin4 (Primary Survey Model) : 3.2762 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.3996

Biowin6 (MITI Non-Linear Model): 0.0678

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.7980

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): 0.0018 Pa (1.35E-005 mm Hg)

Log Koa (Koawin est ): 9.812

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

Mackay model : 0.00167

Octanol/air (Koa) model: 0.00159

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.0568

Mackay model : 0.118

Octanol/air (Koa) model: 0.113

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 43.9991 E-12 cm3/molecule-sec

Half-Life = 0.243 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 2.917 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.0872 (Junge-Pankow, Mackay avg)

0.113 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 1142 L/kg (MCI method)

Log Koc: 3.058 (MCI method)

Koc : 1054 L/kg (Kow method)

Log Koc: 3.023 (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 v3.01):

Log BCF from regression-based method = 2.768 (BCF = 586 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 0.8111 days (HL = 6.473 days)

Log BCF Arnot-Gobas method (upper trophic) = 3.233 (BCF = 1709)

Log BAF Arnot-Gobas method (upper trophic) = 3.271 (BAF = 1865)

log Kow used: 4.70 (estimated)

Volatilization from Water:

Henry LC: 1.02E-008 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 9.369E+004 hours (3904 days)

Half-Life from Model Lake : 1.022E+006 hours (4.259E+004 days)

Removal In Wastewater Treatment:

Total removal: 65.98 percent

Total biodegradation: 0.60 percent

Total sludge adsorption: 65.39 percent

Total to Air: 0.00 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.0598 5.83 1000

Water 13.3 900 1000

Soil 85.8 1.8e+003 1000

Sediment 0.843 8.1e+003 0

Persistence Time: 1.55e+003 hr

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