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CAS Number: 91-17-8
SMILES : C(C(CCC1)CCC2)(C1)C2
CHEM : Naphthalene, decahydro-
MOL FOR: C10 H18
MOL WT : 138.26
------------------------------ EPI SUMMARY (v4.10) --------------------------
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) = 4.20
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 179.54 (Adapted Stein & Brown method)
Melting Pt (deg C): -28.86 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.942 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 126 (Mean VP of Antoine & Grain methods)
MP (exp database): -30.3 deg C
BP (exp database): 187.3 deg C
VP (exp database): 1.22E+00 mm Hg (1.63E+002 Pa) at 25 deg C
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 6.448
log Kow used: 4.20 (estimated)
no-melting pt equation used
Water Sol (Exper. database match) = 0.889 mg/L (25 deg C)
Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992)
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 1.5307 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 3.49E-001 atm-m3/mole (3.54E+004 Pa-m3/mole)
Group Method: 1.28E-001 atm-m3/mole (1.30E+004 Pa-m3/mole)
Exper Database: 4.70E-01 atm-m3/mole (4.76E+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: 2.658E-002 atm-m3/mole (2.693E+003 Pa-m3/mole)
VP: 0.942 mm Hg (source: MPBPVP)
WS: 6.45 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 4.20 (KowWin est)
Log Kaw used: 1.284 (exp database)
Log Koa (KOAWIN v1.10 estimate): 2.916
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.6817
Biowin2 (Non-Linear Model) : 0.7399
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.8936 (weeks )
Biowin4 (Primary Survey Model) : 3.6483 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.4835
Biowin6 (MITI Non-Linear Model): 0.5418
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -0.0451
Ready Biodegradability Prediction: NO
Hydrocarbon Biodegradation (BioHCwin v1.01):
LOG BioHC Half-Life (days) : 1.8360
BioHC Half-Life (days) : 68.5542
Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
Vapor pressure (liquid/subcooled): 163 Pa (1.22 mm Hg)
Log Koa (Koawin est ): 2.916
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 1.84E-008
Octanol/air (Koa) model: 2.02E-010
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 6.66E-007
Mackay model : 1.48E-006
Octanol/air (Koa) model: 1.62E-008
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 18.5246 E-12 cm3/molecule-sec
Half-Life = 0.577 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 6.929 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
1.07E-006 (Junge-Pankow, Mackay avg)
1.62E-008 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 1544 L/kg (MCI method)
Log Koc: 3.189 (MCI method)
Koc : 4413 L/kg (Kow method)
Log Koc: 3.645 (Kow method)
Experimental Log Koc: 3.67 (database)
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 = 2.436 (BCF = 272.8 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 0.8410 days (HL = 6.934 days)
Log BCF Arnot-Gobas method (upper trophic) = 3.154 (BCF = 1425)
Log BAF Arnot-Gobas method (upper trophic) = 3.274 (BAF = 1881)
log Kow used: 4.20 (estimated)
Volatilization from Water:
Henry LC: 0.47 atm-m3/mole (Henry experimental database)
Half-Life from Model River: 1.201 hours
Half-Life from Model Lake : 111.7 hours (4.654 days)
Removal In Wastewater Treatment (recommended maximum 95%):
Total removal: 99.55 percent
Total biodegradation: 0.08 percent
Total sludge adsorption: 23.34 percent
Total to Air: 76.13 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 14.8 12.6 1000
Water 73 360 1000
Soil 8.35 720 1000
Sediment 3.78 3.24e+003 0
Persistence Time: 84.1 hr