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CAS Num: 059056-70-1
SMILES : O=COCC(C(C1(C(C2)(C)C)CC3C4)(C14)C3(C)C)C2
CHEM : 2,3b-Methano-3bH-cyclopenta[1,3]cyclopropa[1,2]benzene-4-methanol, oc
tahydro-7,7,8,8-tetramethyl-, formate
MOL FOR: C17 H26 O2
MOL WT : 262.40
------------------------------ 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) = 5.05
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
Boiling Pt (deg C): 292.00 (Adapted Stein & Brown method)
Melting Pt (deg C): 98.89 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.00057 (Modified Grain method)
VP (Pa, 25 deg C) : 0.076 (Modified Grain method)
Subcooled liquid VP: 0.00298 mm Hg (25 deg C, Mod-Grain method)
: 0.397 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 0.9789
log Kow used: 5.05 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 0.15977 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Esters
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 6.36E-004 atm-m3/mole (6.44E+001 Pa-m3/mole)
Group Method: 2.18E-005 atm-m3/mole (2.21E+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: 2.010E-004 atm-m3/mole (2.037E+001 Pa-m3/mole)
VP: 0.00057 mm Hg (source: MPBPVP)
WS: 0.979 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 5.05 (KowWin est)
Log Kaw used: -1.585 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 6.635
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.0611
Biowin2 (Non-Linear Model) : 0.0285
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 1.9110 (months )
Biowin4 (Primary Survey Model) : 3.0844 (weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.7130
Biowin6 (MITI Non-Linear Model): 0.5144
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -0.9830
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): 0.397 Pa (0.00298 mm Hg)
Log Koa (Koawin est ): 6.635
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 7.55E-006
Octanol/air (Koa) model: 1.06E-006
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.000273
Mackay model : 0.000604
Octanol/air (Koa) model: 8.47E-005
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 7.3008 E-12 cm3/molecule-sec
Half-Life = 1.465 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 17.581 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
0.000438 (Junge-Pankow, Mackay avg)
8.47E-005 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 8349 L/kg (MCI method)
Log Koc: 3.922 (MCI method)
Koc : 4496 L/kg (Kow method)
Log Koc: 3.653 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Total Kb for pH > 8 at 25 deg C : 8.316E+000 L/mol-sec
Kb Half-Life at pH 8: 23.152 hours
Kb Half-Life at pH 7: 9.647 days
(Total Kb applies only to esters, carbmates, alkyl halides)
Bioaccumulation Estimates (BCFBAF v3.00):
Log BCF from regression-based method = 3.000 (BCF = 1000 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -0.3214 days (HL = 0.4771 days)
Log BCF Arnot-Gobas method (upper trophic) = 2.291 (BCF = 195.6)
Log BAF Arnot-Gobas method (upper trophic) = 2.292 (BAF = 195.8)
log Kow used: 5.05 (estimated)
Volatilization from Water:
Henry LC: 2.18E-005 atm-m3/mole (estimated by Group SAR Method)
Half-Life from Model River: 45.16 hours (1.882 days)
Half-Life from Model Lake : 628.5 hours (26.19 days)
Removal In Wastewater Treatment:
Total removal: 79.30 percent
Total biodegradation: 0.69 percent
Total sludge adsorption: 78.42 percent
Total to Air: 0.19 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.72 35.2 1000
Water 11.5 1.44e+003 1000
Soil 80.5 2.88e+003 1000
Sediment 7.23 1.3e+004 0
Persistence Time: 1.71e+003 hr