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CAS Num: 000511-02-4
SMILES : C(CCC1(C)C(C2=C)CCC(=C)C=C)C(C)(C)C1CC2
CHEM : NAPHTHALENE, DECAHYDRO-1,1,4A-TRIMETHYL-6-METHYLENE-5-(3-METHYLENE-4-
P
MOL FOR: C20 H32
MOL WT : 272.48
------------------------------ 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) = 8.59
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
Boiling Pt (deg C): 312.97 (Adapted Stein & Brown method)
Melting Pt (deg C): 84.20 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.000503 (Modified Grain method)
VP (Pa, 25 deg C) : 0.067 (Modified Grain method)
Subcooled liquid VP: 0.00185 mm Hg (25 deg C, Mod-Grain method)
: 0.247 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 0.0002378
log Kow used: 8.59 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 0.0017796 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 1.46E+000 atm-m3/mole (1.48E+005 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: 7.584E-001 atm-m3/mole (7.684E+004 Pa-m3/mole)
VP: 0.000503 mm Hg (source: MPBPVP)
WS: 0.000238 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 8.59 (KowWin est)
Log Kaw used: 1.776 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 6.814
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.2500
Biowin2 (Non-Linear Model) : 0.0133
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.1728 (months )
Biowin4 (Primary Survey Model) : 3.1477 (weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.3037
Biowin6 (MITI Non-Linear Model): 0.0757
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -1.0549
Ready Biodegradability Prediction: NO
Hydrocarbon Biodegradation (BioHCwin v1.01):
LOG BioHC Half-Life (days) : 2.7144
BioHC Half-Life (days) : 518.1414
Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
Vapor pressure (liquid/subcooled): 0.247 Pa (0.00185 mm Hg)
Log Koa (Koawin est ): 6.814
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 1.22E-005
Octanol/air (Koa) model: 1.6E-006
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.000439
Mackay model : 0.000972
Octanol/air (Koa) model: 0.000128
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 172.8098 E-12 cm3/molecule-sec
Half-Life = 0.062 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 0.743 Hrs
Ozone Reaction:
OVERALL Ozone Rate Constant = 2.600000 E-17 cm3/molecule-sec
Half-Life = 0.441 Days (at 7E11 mol/cm3)
Half-Life = 10.578 Hrs
Reaction With Nitrate Radicals May Be Important!
Fraction sorbed to airborne particulates (phi):
0.000706 (Junge-Pankow, Mackay avg)
0.000128 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 2.837E+005 L/kg (MCI method)
Log Koc: 5.453 (MCI method)
Koc : 2.85E+007 L/kg (Kow method)
Log Koc: 7.455 (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 = 3.346 (BCF = 2217 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 2.4367 days (HL = 273.3 days)
Log BCF Arnot-Gobas method (upper trophic) = 2.859 (BCF = 723.6)
Log BAF Arnot-Gobas method (upper trophic) = 6.383 (BAF = 2.414e+006)
log Kow used: 8.59 (estimated)
Volatilization from Water:
Henry LC: 1.46 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 1.685 hours
Half-Life from Model Lake : 156.8 hours (6.533 days)
Removal In Wastewater Treatment:
Total removal: 94.42 percent
Total biodegradation: 0.74 percent
Total sludge adsorption: 91.08 percent
Total to Air: 2.60 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.16 1.3 1000
Water 27.7 1.44e+003 1000
Soil 41.9 2.88e+003 1000
Sediment 30.2 1.3e+004 0
Persistence Time: 715 hr