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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-(1,4,4a

,6,8a )]-, 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

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