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CAS Num: 000473-04-1


CHEM : 1-Naphthalenol, decahydro-1,4a-dimethyl-7-(1-methylethylidene)-, [1R-

(1.alpha.,4a.beta.,8a.alpha.)]- (9CI)

MOL FOR: C15 H26 O1

MOL WT : 222.37

------------------------------ 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) = 4.94

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

Boiling Pt (deg C): 295.33 (Adapted Stein & Brown method)

Melting Pt (deg C): 75.26 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 6.08E-005 (Modified Grain method)

VP (Pa, 25 deg C) : 0.0081 (Modified Grain method)

Subcooled liquid VP: 0.000182 mm Hg (25 deg C, Mod-Grain method)

: 0.0243 Pa (25 deg C, Mod-Grain method)

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

Water Solubility at 25 deg C (mg/L): 6.592

log Kow used: 4.94 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 32.735 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 3.39E-005 atm-m3/mole (3.43E+000 Pa-m3/mole)

Group Method: 2.56E-006 atm-m3/mole (2.60E-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: 2.699E-006 atm-m3/mole (2.734E-001 Pa-m3/mole)

VP: 6.08E-005 mm Hg (source: MPBPVP)

WS: 6.59 mg/L (source: WSKOWWIN)

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

Log Kow used: 4.94 (KowWin est)

Log Kaw used: -2.858 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 7.798

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.2738

Biowin2 (Non-Linear Model) : 0.0267

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.2835 (weeks-months)

Biowin4 (Primary Survey Model) : 3.2200 (weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.3183

Biowin6 (MITI Non-Linear Model): 0.1508

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.8313

Ready Biodegradability Prediction: NO

Hydrocarbon Biodegradation (BioHCwin v1.01):

Structure incompatible with current estimation method!

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

Vapor pressure (liquid/subcooled): 0.0243 Pa (0.000182 mm Hg)

Log Koa (Koawin est ): 7.798

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

Mackay model : 0.000124

Octanol/air (Koa) model: 1.54E-005

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.00445

Mackay model : 0.00979

Octanol/air (Koa) model: 0.00123

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 133.1515 E-12 cm3/molecule-sec

Half-Life = 0.080 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 0.964 Hrs

Ozone Reaction:

OVERALL Ozone Rate Constant = 120.000000 E-17 cm3/molecule-sec

Half-Life = 0.010 Days (at 7E11 mol/cm3)

Half-Life = 13.752 Min

Reaction With Nitrate Radicals May Be Important!

Fraction sorbed to airborne particulates (phi):

0.00712 (Junge-Pankow, Mackay avg)

0.00123 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 1300 L/kg (MCI method)

Log Koc: 3.114 (MCI method)

Koc : 1762 L/kg (Kow method)

Log Koc: 3.246 (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 = 2.924 (BCF = 838.8 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 1.0310 days (HL = 10.74 days)

Log BCF Arnot-Gobas method (upper trophic) = 3.440 (BCF = 2752)

Log BAF Arnot-Gobas method (upper trophic) = 3.576 (BAF = 3769)

log Kow used: 4.94 (estimated)

Volatilization from Water:

Henry LC: 2.56E-006 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 342.6 hours (14.27 days)

Half-Life from Model Lake : 3862 hours (160.9 days)

Removal In Wastewater Treatment:

Total removal: 75.72 percent

Total biodegradation: 0.66 percent

Total sludge adsorption: 75.03 percent

Total to Air: 0.03 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.00956 0.205 1000

Water 18 900 1000

Soil 80.7 1.8e+003 1000

Sediment 1.3 8.1e+003 0

Persistence Time: 1.05e+003 hr

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