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CAS Num: 000475-03-6

SMILES : c(c(ccc1C)C(CC2)(C)C)(c1)C2

CHEM : Naphthalene, 1,2,3,4-tetrahydro-1,1,6-trimethyl-

MOL FOR: C13 H18

MOL WT : 174.29

------------------------------ 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) = 5.38

Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):

Boiling Pt (deg C): 242.94 (Adapted Stein & Brown method)

Melting Pt (deg C): 40.54 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.0321 (Modified Grain method)

VP (Pa, 25 deg C) : 4.28 (Modified Grain method)

BP (exp database): 240 deg C

Subcooled liquid VP: 0.0444 mm Hg (25 deg C, Mod-Grain method)

: 5.92 Pa (25 deg C, Mod-Grain method)

Water Solubility Estimate from Log Kow (WSKOW v1.41):

Water Solubility at 25 deg C (mg/L): 1.505

log Kow used: 5.38 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 2.1348 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:

Bond Method : 9.92E-003 atm-m3/mole (1.00E+003 Pa-m3/mole)

Group Method: 2.39E-003 atm-m3/mole (2.42E+002 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: 4.891E-003 atm-m3/mole (4.956E+002 Pa-m3/mole)

VP: 0.0321 mm Hg (source: MPBPVP)

WS: 1.5 mg/L (source: WSKOWWIN)

Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:

Log Kow used: 5.38 (KowWin est)

Log Kaw used: -0.392 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 5.772

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.5900

Biowin2 (Non-Linear Model) : 0.4912

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.4522 (weeks-months)

Biowin4 (Primary Survey Model) : 3.3058 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.3119

Biowin6 (MITI Non-Linear Model): 0.2589

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.6772

Ready Biodegradability Prediction: NO

Hydrocarbon Biodegradation (BioHCwin v1.01):

LOG BioHC Half-Life (days) : 0.4639

BioHC Half-Life (days) : 2.9097

Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:

Vapor pressure (liquid/subcooled): 5.92 Pa (0.0444 mm Hg)

Log Koa (Koawin est ): 5.772

Kp (particle/gas partition coef. (m3/ug)):

Mackay model : 5.07E-007

Octanol/air (Koa) model: 1.45E-007

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 1.83E-005

Mackay model : 4.05E-005

Octanol/air (Koa) model: 1.16E-005

Atmospheric Oxidation (25 deg C) [AopWin v1.92]:

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 19.6195 E-12 cm3/molecule-sec

Half-Life = 0.545 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 6.542 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

2.94E-005 (Junge-Pankow, Mackay avg)

1.16E-005 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 5980 L/kg (MCI method)

Log Koc: 3.777 (MCI method)

Koc : 4.666E+004 L/kg (Kow method)

Log Koc: 4.669 (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 = 3.214 (BCF = 1637 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 0.8539 days (HL = 7.143 days)

Log BCF Arnot-Gobas method (upper trophic) = 3.361 (BCF = 2294)

Log BAF Arnot-Gobas method (upper trophic) = 3.526 (BAF = 3359)

log Kow used: 5.38 (estimated)

Volatilization from Water:

Henry LC: 0.00239 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 1.671 hours

Half-Life from Model Lake : 128.9 hours (5.372 days)

Removal In Wastewater Treatment:

Total removal: 88.42 percent

Total biodegradation: 0.66 percent

Total sludge adsorption: 81.42 percent

Total to Air: 6.34 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 1.06 13.1 1000

Water 9.74 900 1000

Soil 85.9 1.8e+003 1000

Sediment 3.33 8.1e+003 0

Persistence Time: 854 hr

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