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CAS Num: 018675-33-7
SMILES : OC(CC(C1)C(=C)C)C(C1)C
CHEM : Cyclohexanol, 2-methyl-5-(1-methylethenyl)-, (1.alpha.,2.alpha.,5.bet
a.)- (9CI)
MOL FOR: C10 H18 O1
MOL WT : 154.25
------------------------------ 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) = 3.37
Log Kow (Exper. database match) = 3.21
Exper. Ref: GRIFFIN,S ET AL. (1999)
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
Boiling Pt (deg C): 223.77 (Adapted Stein & Brown method)
Melting Pt (deg C): -4.85 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.0159 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 2.12 (Mean VP of Antoine & Grain methods)
BP (exp database): 225 deg C
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 426.5
log Kow used: 3.21 (expkow database)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 943.2 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 1.34E-005 atm-m3/mole (1.36E+000 Pa-m3/mole)
Group Method: Incomplete
For Henry LC Comparison Purposes:
User-Entered Henry LC: not entered
Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:
HLC: 7.566E-006 atm-m3/mole (7.667E-001 Pa-m3/mole)
VP: 0.0159 mm Hg (source: MPBPVP)
WS: 427 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 3.21 (exp database)
Log Kaw used: -3.261 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 6.471
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.8328
Biowin2 (Non-Linear Model) : 0.8739
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 3.0183 (weeks )
Biowin4 (Primary Survey Model) : 3.7546 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.5241
Biowin6 (MITI Non-Linear Model): 0.3761
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.4210
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): 1.96 Pa (0.0147 mm Hg)
Log Koa (Koawin est ): 6.471
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 1.53E-006
Octanol/air (Koa) model: 7.26E-007
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 5.53E-005
Mackay model : 0.000122
Octanol/air (Koa) model: 5.81E-005
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 72.2251 E-12 cm3/molecule-sec
Half-Life = 0.148 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 1.777 Hrs
Ozone Reaction:
OVERALL Ozone Rate Constant = 1.200000 E-17 cm3/molecule-sec
Half-Life = 0.955 Days (at 7E11 mol/cm3)
Half-Life = 22.920 Hrs
Fraction sorbed to airborne particulates (phi):
8.89E-005 (Junge-Pankow, Mackay avg)
5.81E-005 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 88.15 L/kg (MCI method)
Log Koc: 1.945 (MCI method)
Koc : 194.6 L/kg (Kow method)
Log Koc: 2.289 (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 = 1.785 (BCF = 60.95 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 0.0069 days (HL = 1.016 days)
Log BCF Arnot-Gobas method (upper trophic) = 2.087 (BCF = 122.3)
Log BAF Arnot-Gobas method (upper trophic) = 2.087 (BAF = 122.3)
log Kow used: 3.21 (expkow database)
Volatilization from Water:
Henry LC: 1.34E-005 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 55.53 hours (2.314 days)
Half-Life from Model Lake : 709.9 hours (29.58 days)
Removal In Wastewater Treatment:
Total removal: 8.59 percent
Total biodegradation: 0.14 percent
Total sludge adsorption: 7.76 percent
Total to Air: 0.69 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.363 3.08 1000
Water 28.3 360 1000
Soil 71.2 720 1000
Sediment 0.152 3.24e+003 0
Persistence Time: 422 hr