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CAS Num: 007070-15-7
SMILES : O(C(C(C(C1C2)(C)C)(C2)C)C1)CCO
CHEM : Ethanol, 2- (1,7,7-trimethylbicyclo 2.2.1 hept-2-yl)oxy -, exo-
MOL FOR: C12 H22 O2
MOL WT : 198.31
------------------------------ 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) = 2.58
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
Boiling Pt (deg C): 270.27 (Adapted Stein & Brown method)
Melting Pt (deg C): 64.96 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.000377 (Modified Grain method)
VP (Pa, 25 deg C) : 0.0502 (Modified Grain method)
Subcooled liquid VP: 0.000892 mm Hg (25 deg C, Mod-Grain method)
: 0.119 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 909.5
log Kow used: 2.58 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 1514.6 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 1.04E-007 atm-m3/mole (1.06E-002 Pa-m3/mole)
Group Method: 6.29E-009 atm-m3/mole (6.37E-004 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: 1.082E-007 atm-m3/mole (1.096E-002 Pa-m3/mole)
VP: 0.000377 mm Hg (source: MPBPVP)
WS: 910 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 2.58 (KowWin est)
Log Kaw used: -5.371 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 7.951
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.0966
Biowin2 (Non-Linear Model) : 0.0038
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.4880 (weeks-months)
Biowin4 (Primary Survey Model) : 3.3745 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.6042
Biowin6 (MITI Non-Linear Model): 0.4660
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -0.4247
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): 0.119 Pa (0.000892 mm Hg)
Log Koa (Koawin est ): 7.951
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 2.52E-005
Octanol/air (Koa) model: 2.19E-005
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.00091
Mackay model : 0.00201
Octanol/air (Koa) model: 0.00175
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 27.3206 E-12 cm3/molecule-sec
Half-Life = 0.391 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 4.698 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
0.00146 (Junge-Pankow, Mackay avg)
0.00175 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 64.52 L/kg (MCI method)
Log Koc: 1.810 (MCI method)
Koc : 70.82 L/kg (Kow method)
Log Koc: 1.850 (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 = 1.367 (BCF = 23.3 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -0.1899 days (HL = 0.6458 days)
Log BCF Arnot-Gobas method (upper trophic) = 1.543 (BCF = 34.95)
Log BAF Arnot-Gobas method (upper trophic) = 1.543 (BAF = 34.95)
log Kow used: 2.58 (estimated)
Volatilization from Water:
Henry LC: 6.29E-009 atm-m3/mole (estimated by Group SAR Method)
Half-Life from Model River: 1.311E+005 hours (5462 days)
Half-Life from Model Lake : 1.43E+006 hours (5.959E+004 days)
Removal In Wastewater Treatment:
Total removal: 3.35 percent
Total biodegradation: 0.10 percent
Total sludge adsorption: 3.24 percent
Total to Air: 0.00 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.0503 9.4 1000
Water 20.6 900 1000
Soil 79.3 1.8e+003 1000
Sediment 0.103 8.1e+003 0
Persistence Time: 1.41e+003 hr