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CAS Number: 215231-33-7

SMILES : CC1(O)CCCC(CC(C)C)C1

CHEM : 1-methyl-3-(2-methylpropyl)cyclohexanol

MOL FOR: C11 H22 O1

MOL WT : 170.30

------------------------------ 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) = 3.91

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

Boiling Pt (deg C): 224.52 (Adapted Stein & Brown method)

Melting Pt (deg C): 15.43 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.0164 (Mean VP of Antoine & Grain methods)

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

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

Water Solubility at 25 deg C (mg/L): 91.17

log Kow used: 3.91 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 419.85 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 2.02E-005 atm-m3/mole (2.05E+000 Pa-m3/mole)

Group Method: 1.94E-005 atm-m3/mole (1.97E+000 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: 4.031E-005 atm-m3/mole (4.084E+000 Pa-m3/mole)

VP: 0.0164 mm Hg (source: MPBPVP)

WS: 91.2 mg/L (source: WSKOWWIN)

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

Log Kow used: 3.91 (KowWin est)

Log Kaw used: -3.083 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 6.993

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.4825

Biowin2 (Non-Linear Model) : 0.2437

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.6107 (weeks-months)

Biowin4 (Primary Survey Model) : 3.4486 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.3645

Biowin6 (MITI Non-Linear Model): 0.3128

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.3173

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): 2.01 Pa (0.0151 mm Hg)

Log Koa (Koawin est ): 6.993

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

Mackay model : 1.49E-006

Octanol/air (Koa) model: 2.42E-006

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 5.38E-005

Mackay model : 0.000119

Octanol/air (Koa) model: 0.000193

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 19.9578 E-12 cm3/molecule-sec

Half-Life = 0.536 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 6.431 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

8.65E-005 (Junge-Pankow, Mackay avg)

0.000193 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 140.1 L/kg (MCI method)

Log Koc: 2.146 (MCI method)

Koc : 474.7 L/kg (Kow method)

Log Koc: 2.676 (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 = 2.246 (BCF = 176 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.1052 days (HL = 0.7849 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.378 (BCF = 238.6)

Log BAF Arnot-Gobas method (upper trophic) = 2.378 (BAF = 238.7)

log Kow used: 3.91 (estimated)

Volatilization from Water:

Henry LC: 1.94E-005 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 40.72 hours (1.696 days)

Half-Life from Model Lake : 553.6 hours (23.07 days)

Removal In Wastewater Treatment:

Total removal: 26.80 percent

Total biodegradation: 0.29 percent

Total sludge adsorption: 25.73 percent

Total to Air: 0.79 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.687 12.9 1000

Water 22.1 900 1000

Soil 77.1 1.8e+003 1000

Sediment 0.192 8.1e+003 0

Persistence Time: 888 hr

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