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CAS Number: 3292-05-5
SMILES : CC1C2CC(C1(C)C)CC2(=O)
CHEM :
MOL FOR: C10 H16 O1
MOL WT : 152.24
------------------------------ 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) = 3.01
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 208.55 (Adapted Stein & Brown method)
Melting Pt (deg C): 26.71 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.307 (Modified Grain method)
VP (Pa, 25 deg C) : 40.9 (Modified Grain method)
Subcooled liquid VP: 0.318 mm Hg (25 deg C, Mod-Grain method)
: 42.4 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 199.9
log Kow used: 3.01 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 501.2 mg/L
ECOSAR Class Program (ECOSAR v1.11):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 7.00E-005 atm-m3/mole (7.09E+000 Pa-m3/mole)
Group Method: 1.58E-005 atm-m3/mole (1.60E+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: 3.076E-004 atm-m3/mole (3.117E+001 Pa-m3/mole)
VP: 0.307 mm Hg (source: MPBPVP)
WS: 200 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 3.01 (KowWin est)
Log Kaw used: -2.543 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 5.553
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.4980
Biowin2 (Non-Linear Model) : 0.2093
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.6281 (weeks-months)
Biowin4 (Primary Survey Model) : 3.4524 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.5226
Biowin6 (MITI Non-Linear Model): 0.3790
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -0.2504
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): 42.4 Pa (0.318 mm Hg)
Log Koa (Koawin est ): 5.553
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 7.08E-008
Octanol/air (Koa) model: 8.77E-008
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 2.56E-006
Mackay model : 5.66E-006
Octanol/air (Koa) model: 7.02E-006
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 14.4346 E-12 cm3/molecule-sec
Half-Life = 0.741 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 8.892 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
4.11E-006 (Junge-Pankow, Mackay avg)
7.02E-006 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 124.1 L/kg (MCI method)
Log Koc: 2.094 (MCI method)
Koc : 610.4 L/kg (Kow method)
Log Koc: 2.786 (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 = 1.652 (BCF = 44.88 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 0.1320 days (HL = 1.355 days)
Log BCF Arnot-Gobas method (upper trophic) = 1.959 (BCF = 91.05)
Log BAF Arnot-Gobas method (upper trophic) = 1.959 (BAF = 91.06)
log Kow used: 3.01 (estimated)
Volatilization from Water:
Henry LC: 1.58E-005 atm-m3/mole (estimated by Group SAR Method)
Half-Life from Model River: 46.98 hours (1.958 days)
Half-Life from Model Lake : 616 hours (25.67 days)
Removal In Wastewater Treatment:
Total removal: 6.58 percent
Total biodegradation: 0.12 percent
Total sludge adsorption: 5.62 percent
Total to Air: 0.84 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.881 17.8 1000
Water 22.8 900 1000
Soil 76.1 1.8e+003 1000
Sediment 0.181 8.1e+003 0
Persistence Time: 886 hr