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CAS Num: 010519-12-7
SMILES : O=COC(CCC(C1CCC2)C2)C1
CHEM : 2-Naphthalenol, decahydro-, formate
MOL FOR: C11 H18 O2
MOL WT : 182.26
------------------------------ 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) = 3.12
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
Boiling Pt (deg C): 238.98 (Adapted Stein & Brown method)
Melting Pt (deg C): 21.36 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.0488 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 6.51 (Mean VP of Antoine & Grain methods)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 117.1
log Kow used: 3.12 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 152.85 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Esters
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 5.98E-004 atm-m3/mole (6.06E+001 Pa-m3/mole)
Group Method: 1.38E-004 atm-m3/mole (1.39E+001 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: 9.994E-005 atm-m3/mole (1.013E+001 Pa-m3/mole)
VP: 0.0488 mm Hg (source: MPBPVP)
WS: 117 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 3.12 (KowWin est)
Log Kaw used: -1.612 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 4.732
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.8350
Biowin2 (Non-Linear Model) : 0.9890
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.9366 (weeks )
Biowin4 (Primary Survey Model) : 3.8137 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.6891
Biowin6 (MITI Non-Linear Model): 0.7266
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.2862
Ready Biodegradability Prediction: YES
Hydrocarbon Biodegradation (BioHCwin v1.01):
Structure incompatible with current estimation method!
Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
Vapor pressure (liquid/subcooled): 6.23 Pa (0.0467 mm Hg)
Log Koa (Koawin est ): 4.732
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 4.82E-007
Octanol/air (Koa) model: 1.32E-008
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 1.74E-005
Mackay model : 3.85E-005
Octanol/air (Koa) model: 1.06E-006
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 21.8075 E-12 cm3/molecule-sec
Half-Life = 0.490 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 5.886 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
2.8E-005 (Junge-Pankow, Mackay avg)
1.06E-006 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 434.7 L/kg (MCI method)
Log Koc: 2.638 (MCI method)
Koc : 384.8 L/kg (Kow method)
Log Koc: 2.585 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Total Kb for pH > 8 at 25 deg C : 3.697E+000 L/mol-sec
Kb Half-Life at pH 8: 2.170 days
Kb Half-Life at pH 7: 21.696 days
(Total Kb applies only to esters, carbmates, alkyl halides)
Bioaccumulation Estimates (BCFBAF v3.00):
Log BCF from regression-based method = 1.723 (BCF = 52.85 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -0.4480 days (HL = 0.3564 days)
Log BCF Arnot-Gobas method (upper trophic) = 1.852 (BCF = 71.09)
Log BAF Arnot-Gobas method (upper trophic) = 1.852 (BAF = 71.09)
log Kow used: 3.12 (estimated)
Volatilization from Water:
Henry LC: 0.000138 atm-m3/mole (estimated by Group SAR Method)
Half-Life from Model River: 7.105 hours
Half-Life from Model Lake : 190.7 hours (7.946 days)
Removal In Wastewater Treatment:
Total removal: 12.72 percent
Total biodegradation: 0.13 percent
Total sludge adsorption: 6.48 percent
Total to Air: 6.11 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 1.5 11.8 1000
Water 21.5 360 1000
Soil 76.7 720 1000
Sediment 0.376 3.24e+003 0
Persistence Time: 417 hr