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CAS Num: 041199-19-3
SMILES : OC(CCC(C1=CCC2)C2(C)C)(C1)C
CHEM : 2-Naphthalenol, 1,2,3,4,4a,5,6,7-octahydro-2,5,5-trimethyl-
MOL FOR: C13 H22 O1
MOL WT : 194.32
------------------------------ 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) = 3.90
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
Boiling Pt (deg C): 266.66 (Adapted Stein & Brown method)
Melting Pt (deg C): 62.22 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.000503 (Modified Grain method)
VP (Pa, 25 deg C) : 0.0671 (Modified Grain method)
Subcooled liquid VP: 0.00112 mm Hg (25 deg C, Mod-Grain method)
: 0.149 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 71.04
log Kow used: 3.90 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 128.4 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 1.63E-005 atm-m3/mole (1.65E+000 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: 1.810E-006 atm-m3/mole (1.834E-001 Pa-m3/mole)
VP: 0.000503 mm Hg (source: MPBPVP)
WS: 71 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 3.90 (KowWin est)
Log Kaw used: -3.176 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 7.076
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.2872
Biowin2 (Non-Linear Model) : 0.0393
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.3455 (weeks-months)
Biowin4 (Primary Survey Model) : 3.2605 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.3878
Biowin6 (MITI Non-Linear Model): 0.2412
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -0.7052
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): 0.149 Pa (0.00112 mm Hg)
Log Koa (Koawin est ): 7.076
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 2.01E-005
Octanol/air (Koa) model: 2.92E-006
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.000725
Mackay model : 0.0016
Octanol/air (Koa) model: 0.000234
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 102.7160 E-12 cm3/molecule-sec
Half-Life = 0.104 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 1.250 Hrs
Ozone Reaction:
OVERALL Ozone Rate Constant = 43.000000 E-17 cm3/molecule-sec
Half-Life = 0.027 Days (at 7E11 mol/cm3)
Half-Life = 38.378 Min
Reaction With Nitrate Radicals May Be Important!
Fraction sorbed to airborne particulates (phi):
0.00116 (Junge-Pankow, Mackay avg)
0.000234 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 418.9 L/kg (MCI method)
Log Koc: 2.622 (MCI method)
Koc : 468.7 L/kg (Kow method)
Log Koc: 2.671 (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 = 2.239 (BCF = 173.2 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 0.5413 days (HL = 3.478 days)
Log BCF Arnot-Gobas method (upper trophic) = 2.722 (BCF = 527.7)
Log BAF Arnot-Gobas method (upper trophic) = 2.724 (BAF = 530.1)
log Kow used: 3.90 (estimated)
Volatilization from Water:
Henry LC: 1.63E-005 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 51.49 hours (2.146 days)
Half-Life from Model Lake : 678.6 hours (28.28 days)
Removal In Wastewater Treatment:
Total removal: 26.29 percent
Total biodegradation: 0.28 percent
Total sludge adsorption: 25.34 percent
Total to Air: 0.67 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.0276 0.509 1000
Water 18.7 900 1000
Soil 80.9 1.8e+003 1000
Sediment 0.434 8.1e+003 0
Persistence Time: 980 hr