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CAS Num: 001579-21-1


CHEM : 2(1H)-Naphthalenone, octahydro-, cis-

MOL FOR: C10 H16 O1

MOL WT : 152.24

------------------------------ 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) = 2.49

Log Kow (Exper. database match) = 1.97

Exper. Ref: HANSCH,C & LEO,AJ (1985)

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

Boiling Pt (deg C): 234.67 (Adapted Stein & Brown method)

Melting Pt (deg C): 21.34 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.0955 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 12.7 (Mean VP of Antoine & Grain methods)

BP (exp database): 96 @ 2.5 mm Hg deg C

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

Water Solubility at 25 deg C (mg/L): 1541

log Kow used: 1.97 (expkow database)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 1304.7 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 7.00E-005 atm-m3/mole (7.09E+000 Pa-m3/mole)

Group Method: 8.48E-006 atm-m3/mole (8.59E-001 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: 1.241E-005 atm-m3/mole (1.258E+000 Pa-m3/mole)

VP: 0.0955 mm Hg (source: MPBPVP)

WS: 1.54E+003 mg/L (source: WSKOWWIN)

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

Log Kow used: 1.97 (exp database)

Log Kaw used: -2.543 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 4.513

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.6819

Biowin2 (Non-Linear Model) : 0.5972

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.8403 (weeks )

Biowin4 (Primary Survey Model) : 3.6059 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.5399

Biowin6 (MITI Non-Linear Model): 0.5893

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.3170

Ready Biodegradability Prediction: YES

Hydrocarbon Biodegradation (BioHCwin v1.01):

Structure incompatible with current estimation method!

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

Vapor pressure (liquid/subcooled): 12.1 Pa (0.091 mm Hg)

Log Koa (Koawin est ): 4.513

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

Mackay model : 2.47E-007

Octanol/air (Koa) model: 8E-009

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 8.93E-006

Mackay model : 1.98E-005

Octanol/air (Koa) model: 6.4E-007

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 26.9125 E-12 cm3/molecule-sec

Half-Life = 0.397 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 4.769 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

1.44E-005 (Junge-Pankow, Mackay avg)

6.4E-007 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 184.1 L/kg (MCI method)

Log Koc: 2.265 (MCI method)

Koc : 162.3 L/kg (Kow method)

Log Koc: 2.210 (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 = 0.967 (BCF = 9.264 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.1554 days (HL = 0.6991 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.010 (BCF = 10.23)

Log BAF Arnot-Gobas method (upper trophic) = 1.010 (BAF = 10.23)

log Kow used: 1.97 (expkow database)

Volatilization from Water:

Henry LC: 8.48E-006 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 86.45 hours (3.602 days)

Half-Life from Model Lake : 1047 hours (43.61 days)

Removal In Wastewater Treatment:

Total removal: 2.68 percent

Total biodegradation: 0.09 percent

Total sludge adsorption: 2.12 percent

Total to Air: 0.47 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.937 9.54 1000

Water 26.3 360 1000

Soil 72.6 720 1000

Sediment 0.235 3.24e+003 0

Persistence Time: 446 hr

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