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CAS Num: 029350-73-0
SMILES : CC(C)C1CC=C(C)C2CCC(C)CC12
CHEM : Naphthalene, decahydro-1,6-dimethyl-4-(1-methylethyl)-, [1S-(1à,4à,4a
à,6à,8a )]-, didehydro deriv.
MOL FOR: C15 H26
MOL WT : 206.37
------------------------------ 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) = 6.27
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
Boiling Pt (deg C): 253.22 (Adapted Stein & Brown method)
Melting Pt (deg C): 15.72 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.0374 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 4.99 (Mean VP of Antoine & Grain methods)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 0.05181
log Kow used: 6.27 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 0.053852 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 4.41E-001 atm-m3/mole (4.47E+004 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: 1.960E-001 atm-m3/mole (1.986E+004 Pa-m3/mole)
VP: 0.0374 mm Hg (source: MPBPVP)
WS: 0.0518 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 6.27 (KowWin est)
Log Kaw used: 1.256 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 5.014
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.6493
Biowin2 (Non-Linear Model) : 0.5195
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.7431 (weeks-months)
Biowin4 (Primary Survey Model) : 3.5500 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.1840
Biowin6 (MITI Non-Linear Model): 0.0475
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -0.0438
Ready Biodegradability Prediction: NO
Hydrocarbon Biodegradation (BioHCwin v1.01):
LOG BioHC Half-Life (days) : 1.4322
BioHC Half-Life (days) : 27.0529
Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
Vapor pressure (liquid/subcooled): 4.92 Pa (0.0369 mm Hg)
Log Koa (Koawin est ): 5.014
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 6.1E-007
Octanol/air (Koa) model: 2.54E-008
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 2.2E-005
Mackay model : 4.88E-005
Octanol/air (Koa) model: 2.03E-006
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 108.4022 E-12 cm3/molecule-sec
Half-Life = 0.099 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 1.184 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):
3.54E-005 (Junge-Pankow, Mackay avg)
2.03E-006 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 1.981E+004 L/kg (MCI method)
Log Koc: 4.297 (MCI method)
Koc : 2.763E+005 L/kg (Kow method)
Log Koc: 5.441 (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 = 3.806 (BCF = 6392 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 1.8327 days (HL = 68.03 days)
Log BCF Arnot-Gobas method (upper trophic) = 4.014 (BCF = 1.033e+004)
Log BAF Arnot-Gobas method (upper trophic) = 5.915 (BAF = 8.222e+005)
log Kow used: 6.27 (estimated)
Volatilization from Water:
Henry LC: 0.441 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 1.468 hours
Half-Life from Model Lake : 136.5 hours (5.686 days)
Removal In Wastewater Treatment (recommended maximum 95%):
Total removal: 98.68 percent
Total biodegradation: 0.29 percent
Total sludge adsorption: 65.37 percent
Total to Air: 33.02 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.238 0.504 1000
Water 32.8 900 1000
Soil 32.6 1.8e+003 1000
Sediment 34.3 8.1e+003 0
Persistence Time: 247 hr