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CAS Number: 119-64-2

SMILES : c(c(ccc1)CCC2)(c1)C2

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

MOL FOR: C10 H12

MOL WT : 132.21

------------------------------ 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) = 3.96

Log Kow (Exper. database match) = 3.49

Exper. Ref: HANSCH,C ET AL. (1995)

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

Boiling Pt (deg C): 201.83 (Adapted Stein & Brown method)

Melting Pt (deg C): -4.46 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.246 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 32.8 (Mean VP of Antoine & Grain methods)

MP (exp database): -35.7 deg C

BP (exp database): 102-104 @ 30 mm Hg deg C

VP (exp database): 3.68E-01 mm Hg (4.91E+001 Pa) at 25 deg C

Water Solubility Estimate from Log Kow (WSKOW v1.42):

Water Solubility at 25 deg C (mg/L): 94.26

log Kow used: 3.49 (expkow database)

no-melting pt equation used

Water Sol (Exper. database match) = 47 mg/L (28 deg C)

Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992)

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 42.05 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 5.10E-003 atm-m3/mole (5.17E+002 Pa-m3/mole)

Group Method: 1.69E-003 atm-m3/mole (1.71E+002 Pa-m3/mole)

Exper Database: 1.36E-03 atm-m3/mole (1.38E+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: 4.540E-004 atm-m3/mole (4.600E+001 Pa-m3/mole)

VP: 0.246 mm Hg (source: MPBPVP)

WS: 94.3 mg/L (source: WSKOWWIN)

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

Log Kow used: 3.49 (exp database)

Log Kaw used: -1.255 (exp database)

Log Koa (KOAWIN v1.10 estimate): 4.745

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.7939

Biowin2 (Non-Linear Model) : 0.9077

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.7573 (weeks )

Biowin4 (Primary Survey Model) : 3.5199 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.2798

Biowin6 (MITI Non-Linear Model): 0.3574

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.0292

Ready Biodegradability Prediction: NO

Hydrocarbon Biodegradation (BioHCwin v1.01):

LOG BioHC Half-Life (days) : 0.1656

BioHC Half-Life (days) : 1.4641

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

Vapor pressure (liquid/subcooled): 49.1 Pa (0.368 mm Hg)

Log Koa (Koawin est ): 4.745

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

Mackay model : 6.11E-008

Octanol/air (Koa) model: 1.36E-008

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 2.21E-006

Mackay model : 4.89E-006

Octanol/air (Koa) model: 1.09E-006

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 11.0266 E-12 cm3/molecule-sec

Half-Life = 0.970 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 11.640 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

3.55E-006 (Junge-Pankow, Mackay avg)

1.09E-006 (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 : 1068 L/kg (Kow method)

Log Koc: 3.029 (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 = 1.970 (BCF = 93.26 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 0.2075 days (HL = 1.612 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.459 (BCF = 287.7)

Log BAF Arnot-Gobas method (upper trophic) = 2.461 (BAF = 289)

log Kow used: 3.49 (expkow database)

Volatilization from Water:

Henry LC: 0.00136 atm-m3/mole (Henry experimental database)

Half-Life from Model River: 1.668 hours

Half-Life from Model Lake : 114.6 hours (4.776 days)

Removal In Wastewater Treatment:

Total removal: 42.55 percent

Total biodegradation: 0.13 percent

Total sludge adsorption: 10.58 percent

Total to Air: 31.84 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 1.35 7.48 1000

Water 17.8 360 1000

Soil 79.9 720 1000

Sediment 0.924 3.24e+003 0

Persistence Time: 373 hr

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