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CAS Num: 061826-56-0
SMILES : O=C(OCC(=C(C(CC1C2)(C(C3)(C)C)C2)C1(C)C)C3)C
CHEM : 2H-2,4a-Methanonaphthalene-8-methanol, 1,3,4,5,6,7-hexahydro-1,1,5,5-
tetramethyl-, acetate, (2S)-
MOL FOR: C18 H28 O2
MOL WT : 276.42
------------------------------ 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) = 5.87
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
Boiling Pt (deg C): 321.59 (Adapted Stein & Brown method)
Melting Pt (deg C): 106.04 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 9.9E-005 (Modified Grain method)
VP (Pa, 25 deg C) : 0.0132 (Modified Grain method)
Subcooled liquid VP: 0.000616 mm Hg (25 deg C, Mod-Grain method)
: 0.0821 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 0.1641
log Kow used: 5.87 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 0.30144 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Esters
Vinyl/Allyl Esters
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 1.29E-003 atm-m3/mole (1.31E+002 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: 2.194E-004 atm-m3/mole (2.223E+001 Pa-m3/mole)
VP: 9.9E-005 mm Hg (source: MPBPVP)
WS: 0.164 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 5.87 (KowWin est)
Log Kaw used: -1.278 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 7.148
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.2383
Biowin2 (Non-Linear Model) : 0.1185
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.0922 (months )
Biowin4 (Primary Survey Model) : 3.2176 (weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.5989
Biowin6 (MITI Non-Linear Model): 0.4424
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -0.9272
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): 0.0821 Pa (0.000616 mm Hg)
Log Koa (Koawin est ): 7.148
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 3.65E-005
Octanol/air (Koa) model: 3.45E-006
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.00132
Mackay model : 0.00291
Octanol/air (Koa) model: 0.000276
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 118.6337 E-12 cm3/molecule-sec
Half-Life = 0.090 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 1.082 Hrs
Ozone Reaction:
OVERALL Ozone Rate Constant = 7.393750 E-17 cm3/molecule-sec
Half-Life = 0.155 Days (at 7E11 mol/cm3)
Half-Life = 3.720 Hrs
Fraction sorbed to airborne particulates (phi):
0.00212 (Junge-Pankow, Mackay avg)
0.000276 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 1.264E+004 L/kg (MCI method)
Log Koc: 4.102 (MCI method)
Koc : 1.278E+004 L/kg (Kow method)
Log Koc: 4.106 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Total Kb for pH > 8 at 25 deg C : 3.467E-001 L/mol-sec
Kb Half-Life at pH 8: 23.141 days
Kb Half-Life at pH 7: 231.410 days
(Total Kb applies only to esters, carbmates, alkyl halides)
Bioaccumulation Estimates (BCFBAF v3.00):
Log BCF from regression-based method = 3.538 (BCF = 3450 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 0.2926 days (HL = 1.962 days)
Log BCF Arnot-Gobas method (upper trophic) = 2.845 (BCF = 700.4)
Log BAF Arnot-Gobas method (upper trophic) = 2.903 (BAF = 800.7)
log Kow used: 5.87 (estimated)
Volatilization from Water:
Henry LC: 0.00129 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 2.451 hours
Half-Life from Model Lake : 166.1 hours (6.923 days)
Removal In Wastewater Treatment:
Total removal: 91.78 percent
Total biodegradation: 0.75 percent
Total sludge adsorption: 89.69 percent
Total to Air: 1.34 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.0716 1.37 1000
Water 6.43 1.44e+003 1000
Soil 87.5 2.88e+003 1000
Sediment 5.98 1.3e+004 0
Persistence Time: 1.47e+003 hr