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CAS Num: 072402-00-7
SMILES : OC1(C(C(CC1)C(=C)C)C)C
CHEM : Cyclopentanol, 1,2-dimethyl-3-(1-methylethenyl)-
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) = 3.34
Log Kow (Exper. database match) = 2.87
Exper. Ref: LI,J & PERDUE,EM (1995)
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
Boiling Pt (deg C): 202.81 (Adapted Stein & Brown method)
Melting Pt (deg C): 2.74 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.0622 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 8.3 (Mean VP of Antoine & Grain methods)
VP (exp database): 1.35E-01 mm Hg (1.80E+001 Pa) at 24 deg C
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 832.3
log Kow used: 2.87 (expkow database)
no-melting pt equation used
Water Sol (Exper. database match) = 1480 mg/L (23 deg C)
Exper. Ref: LI,J & PERDUE,EM (1995)
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 861.66 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
Exper Database: 1.85E-05 atm-m3/mole (1.87E+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: 1.517E-005 atm-m3/mole (1.537E+000 Pa-m3/mole)
VP: 0.0622 mm Hg (source: MPBPVP)
WS: 832 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 2.87 (exp database)
Log Kaw used: -3.121 (exp database)
Log Koa (KOAWIN v1.10 estimate): 5.991
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.4902
Biowin2 (Non-Linear Model) : 0.2880
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.6462 (weeks-months)
Biowin4 (Primary Survey Model) : 3.4717 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.3988
Biowin6 (MITI Non-Linear Model): 0.2316
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -0.0450
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): 18 Pa (0.135 mm Hg)
Log Koa (Koawin est ): 5.991
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 1.67E-007
Octanol/air (Koa) model: 2.4E-007
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 6.02E-006
Mackay model : 1.33E-005
Octanol/air (Koa) model: 1.92E-005
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 63.7400 E-12 cm3/molecule-sec
Half-Life = 0.168 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 2.014 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):
9.68E-006 (Junge-Pankow, Mackay avg)
1.92E-005 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 72.76 L/kg (MCI method)
Log Koc: 1.862 (MCI method)
Koc : 126.2 L/kg (Kow method)
Log Koc: 2.101 (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 = 1.561 (BCF = 36.36 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -0.1983 days (HL = 0.6335 days)
Log BCF Arnot-Gobas method (upper trophic) = 1.780 (BCF = 60.31)
Log BAF Arnot-Gobas method (upper trophic) = 1.780 (BAF = 60.31)
log Kow used: 2.87 (expkow database)
Volatilization from Water:
Henry LC: 1.85E-005 atm-m3/mole (Henry experimental database)
Half-Life from Model River: 40.57 hours (1.691 days)
Half-Life from Model Lake : 546.8 hours (22.78 days)
Removal In Wastewater Treatment:
Total removal: 5.68 percent
Total biodegradation: 0.11 percent
Total sludge adsorption: 4.58 percent
Total to Air: 0.99 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.239 3.43 1000
Water 26.1 900 1000
Soil 73.5 1.8e+003 1000
Sediment 0.141 8.1e+003 0
Persistence Time: 799 hr