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CAS Num: 067634-11-1
SMILES : OC(C(C(C)(C)C)CC(C1)C)C1
CHEM : Cyclohexanol, 2-(1,1-dimethylethyl)-4-methyl-
MOL FOR: C11 H22 O1
MOL WT : 170.30
------------------------------ 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) = 3.83
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
Boiling Pt (deg C): 230.26 (Adapted Stein & Brown method)
Melting Pt (deg C): 11.75 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.0114 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 1.52 (Mean VP of Antoine & Grain methods)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 105.3
log Kow used: 3.83 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 437.68 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: 3.62E-005 atm-m3/mole (3.67E+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: 2.426E-005 atm-m3/mole (2.458E+000 Pa-m3/mole)
VP: 0.0114 mm Hg (source: MPBPVP)
WS: 105 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 3.83 (KowWin est)
Log Kaw used: -3.083 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 6.913
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.6413
Biowin2 (Non-Linear Model) : 0.4963
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.7707 (weeks )
Biowin4 (Primary Survey Model) : 3.5780 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.5324
Biowin6 (MITI Non-Linear Model): 0.3570
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.0746
Ready Biodegradability Prediction: YES
Hydrocarbon Biodegradation (BioHCwin v1.01):
Structure incompatible with current estimation method!
Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
Vapor pressure (liquid/subcooled): 1.43 Pa (0.0107 mm Hg)
Log Koa (Koawin est ): 6.913
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 2.1E-006
Octanol/air (Koa) model: 2.01E-006
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 7.59E-005
Mackay model : 0.000168
Octanol/air (Koa) model: 0.000161
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 21.8660 E-12 cm3/molecule-sec
Half-Life = 0.489 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 5.870 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
0.000122 (Junge-Pankow, Mackay avg)
0.000161 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 126.5 L/kg (MCI method)
Log Koc: 2.102 (MCI method)
Koc : 428.7 L/kg (Kow method)
Log Koc: 2.632 (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 = 2.197 (BCF = 157.4 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 0.1518 days (HL = 1.418 days)
Log BCF Arnot-Gobas method (upper trophic) = 2.513 (BCF = 326.2)
Log BAF Arnot-Gobas method (upper trophic) = 2.514 (BAF = 326.4)
log Kow used: 3.83 (estimated)
Volatilization from Water:
Henry LC: 3.62E-005 atm-m3/mole (estimated by Group SAR Method)
Half-Life from Model River: 22.44 hours
Half-Life from Model Lake : 354.2 hours (14.76 days)
Removal In Wastewater Treatment:
Total removal: 24.26 percent
Total biodegradation: 0.26 percent
Total sludge adsorption: 22.50 percent
Total to Air: 1.49 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 1.32 11.7 1000
Water 26.2 360 1000
Soil 72.3 720 1000
Sediment 0.179 3.24e+003 0
Persistence Time: 421 hr