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CAS Number: 67874-82-2
SMILES : O=COC(C=C(C(CC1C2)(C3(C)C)C2)C1(C)C)C3
CHEM : 2H-2,4a-Methanonaphthalen-7-ol, 1,3,4,5,6,7-hexahydro-1,1,5,5-tetrame
thyl-, formate
MOL FOR: C16 H24 O2
MOL WT : 248.37
------------------------------ EPI SUMMARY (v4.10) --------------------------
Henry LC (atm-m3/mole) : ------
Log Kow (octanol-water): ------
Boiling Point (deg C) : ------
Water Solubility (mg/L): ------
Physical Property Inputs:
Vapor Pressure (mm Hg) : ------
Melting Point (deg C) : ------
Log Octanol-Water Partition Coef (SRC):
Log Kow (KOWWIN v1.68 estimate) = 4.70
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 291.52 (Adapted Stein & Brown method)
Melting Pt (deg C): 87.14 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.000774 (Modified Grain method)
VP (Pa, 25 deg C) : 0.103 (Modified Grain method)
Subcooled liquid VP: 0.00306 mm Hg (25 deg C, Mod-Grain method)
: 0.408 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 2.346
log Kow used: 4.70 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 1.2398 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Esters
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 1.13E-003 atm-m3/mole (1.14E+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: 1.078E-004 atm-m3/mole (1.092E+001 Pa-m3/mole)
VP: 0.000774 mm Hg (source: MPBPVP)
WS: 2.35 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 4.70 (KowWin est)
Log Kaw used: -1.335 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 6.035
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.2517
Biowin2 (Non-Linear Model) : 0.1668
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.1542 (months )
Biowin4 (Primary Survey Model) : 3.2580 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.6315
Biowin6 (MITI Non-Linear Model): 0.4482
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -0.7877
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): 0.408 Pa (0.00306 mm Hg)
Log Koa (Koawin est ): 6.035
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 7.35E-006
Octanol/air (Koa) model: 2.66E-007
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.000266
Mackay model : 0.000588
Octanol/air (Koa) model: 2.13E-005
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 96.6663 E-12 cm3/molecule-sec
Half-Life = 0.111 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 1.328 Hrs
Ozone Reaction:
OVERALL Ozone Rate Constant = 1.137500 E-17 cm3/molecule-sec
Half-Life = 1.007 Days (at 7E11 mol/cm3)
Half-Life = 24.179 Hrs
Fraction sorbed to airborne particulates (phi):
0.000427 (Junge-Pankow, Mackay avg)
2.13E-005 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 4436 L/kg (MCI method)
Log Koc: 3.647 (MCI method)
Koc : 2879 L/kg (Kow method)
Log Koc: 3.459 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Total Kb for pH > 8 at 25 deg C : 3.442E-001 L/mol-sec
Kb Half-Life at pH 8: 23.307 days
Kb Half-Life at pH 7: 233.068 days
(Total Kb applies only to esters, carbmates, alkyl halides)
Bioaccumulation Estimates (BCFBAF v3.01):
Log BCF from regression-based method = 2.767 (BCF = 585 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -0.2486 days (HL = 0.5642 days)
Log BCF Arnot-Gobas method (upper trophic) = 2.357 (BCF = 227.4)
Log BAF Arnot-Gobas method (upper trophic) = 2.357 (BAF = 227.6)
log Kow used: 4.70 (estimated)
Volatilization from Water:
Henry LC: 0.00113 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 2.425 hours
Half-Life from Model Lake : 158.6 hours (6.608 days)
Removal In Wastewater Treatment:
Total removal: 72.30 percent
Total biodegradation: 0.51 percent
Total sludge adsorption: 60.54 percent
Total to Air: 11.25 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.149 2.39 1000
Water 7.36 1.44e+003 1000
Soil 90.1 2.88e+003 1000
Sediment 2.39 1.3e+004 0
Persistence Time: 1.29e+003 hr