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CAS Number: 2958-76-1
SMILES : C(CCC1CC2C)CC1CC2
CHEM : NAPHTHALENE, DECAHYDRO-2-METHYL-
MOL FOR: C11 H20
MOL WT : 152.28
------------------------------ EPI SUMMARY (v4.11) --------------------------
Physical Property Inputs:
Log Kow (octanol-water): ------
Boiling Point (deg C) : ------
Melting Point (deg C) : ------
Vapor Pressure (mm Hg) : ------
Water Solubility (mg/L): ------
Henry LC (atm-m3/mole) : ------
Log Octanol-Water Partition Coef (SRC):
Log Kow (KOWWIN v1.68 estimate) = 4.61
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 194.10 (Adapted Stein & Brown method)
Melting Pt (deg C): -21.10 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.684 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 91.2 (Mean VP of Antoine & Grain methods)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 2.47
log Kow used: 4.61 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 0.51038 mg/L
ECOSAR Class Program (ECOSAR v1.11):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 4.64E-001 atm-m3/mole (4.70E+004 Pa-m3/mole)
Group Method: 2.18E-001 atm-m3/mole (2.21E+004 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: 5.549E-002 atm-m3/mole (5.622E+003 Pa-m3/mole)
VP: 0.684 mm Hg (source: MPBPVP)
WS: 2.47 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 4.61 (KowWin est)
Log Kaw used: 1.278 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 3.332
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.6750
Biowin2 (Non-Linear Model) : 0.6998
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.8626 (weeks )
Biowin4 (Primary Survey Model) : 3.6280 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.4349
Biowin6 (MITI Non-Linear Model): 0.3581
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.0348
Ready Biodegradability Prediction: NO
Hydrocarbon Biodegradation (BioHCwin v1.01):
LOG BioHC Half-Life (days) : 1.6776
BioHC Half-Life (days) : 47.5993
Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
Vapor pressure (liquid/subcooled): 83.6 Pa (0.627 mm Hg)
Log Koa (Koawin est ): 3.332
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 3.59E-008
Octanol/air (Koa) model: 5.27E-010
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 1.3E-006
Mackay model : 2.87E-006
Octanol/air (Koa) model: 4.22E-008
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 20.2138 E-12 cm3/molecule-sec
Half-Life = 0.529 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 6.350 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
2.08E-006 (Junge-Pankow, Mackay avg)
4.22E-008 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 2478 L/kg (MCI method)
Log Koc: 3.394 (MCI method)
Koc : 1.001E+004 L/kg (Kow method)
Log Koc: 4.001 (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 v3.01):
Log BCF from regression-based method = 2.711 (BCF = 514.4 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 1.0948 days (HL = 12.44 days)
Log BCF Arnot-Gobas method (upper trophic) = 3.347 (BCF = 2221)
Log BAF Arnot-Gobas method (upper trophic) = 3.434 (BAF = 2719)
log Kow used: 4.61 (estimated)
Volatilization from Water:
Henry LC: 0.464 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 1.261 hours
Half-Life from Model Lake : 117.2 hours (4.884 days)
Removal In Wastewater Treatment (recommended maximum 95%):
Total removal: 99.60 percent
Total biodegradation: 0.12 percent
Total sludge adsorption: 37.29 percent
Total to Air: 62.19 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 14 12.7 1000
Water 68.5 360 1000
Soil 12.1 720 1000
Sediment 5.45 3.24e+003 0
Persistence Time: 89.7 hr