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CAS Number: 70892-62-5

SMILES : O=CCC(C=C)(C)C2C1C(C)CCC(C)(C)C1CCC2C

CHEM : 1-Naphthalenepropanol, -ethenyldecahydro-2-hydroxy-,2,5,5,8a-pentamet

hyl-, [1R-[1(R*),2 ,4a ,8a]]-, oxidized

MOL FOR: C20 H34 O1

MOL WT : 290.49

------------------------------ EPI SUMMARY (v4.10) --------------------------

Henry LC (atm-m3/mole) : ------

Log Kow (octanol-water): ------

Boiling Point (deg C) : ------

Water Solubility (mg/L): ------

Physical Property Inputs:

Vapor Pressure (mm Hg) : ------

Melting Point (deg C) : ------

Log Octanol-Water Partition Coef (SRC):

Log Kow (KOWWIN v1.68 estimate) = 7.04

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

Boiling Pt (deg C): 339.85 (Adapted Stein & Brown method)

Melting Pt (deg C): 99.09 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 4.37E-005 (Modified Grain method)

VP (Pa, 25 deg C) : 0.00582 (Modified Grain method)

Subcooled liquid VP: 0.000229 mm Hg (25 deg C, Mod-Grain method)

: 0.0306 Pa (25 deg C, Mod-Grain method)

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

Water Solubility at 25 deg C (mg/L): 0.01359

log Kow used: 7.04 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 0.05142 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Aldehydes (Mono)

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

Bond Method : 1.61E-003 atm-m3/mole (1.63E+002 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: 1.229E-003 atm-m3/mole (1.245E+002 Pa-m3/mole)

VP: 4.37E-005 mm Hg (source: MPBPVP)

WS: 0.0136 mg/L (source: WSKOWWIN)

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

Log Kow used: 7.04 (KowWin est)

Log Kaw used: -1.182 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 8.222

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.5260

Biowin2 (Non-Linear Model) : 0.9320

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.1553 (months )

Biowin4 (Primary Survey Model) : 3.3184 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.6057

Biowin6 (MITI Non-Linear Model): 0.1966

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.5851

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): 0.0305 Pa (0.000229 mm Hg)

Log Koa (Koawin est ): 8.222

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

Mackay model : 9.83E-005

Octanol/air (Koa) model: 4.09E-005

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.00354

Mackay model : 0.0078

Octanol/air (Koa) model: 0.00326

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 71.1104 E-12 cm3/molecule-sec

Half-Life = 0.150 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 1.805 Hrs

Ozone Reaction:

OVERALL Ozone Rate Constant = 0.175000 E-17 cm3/molecule-sec

Half-Life = 6.549 Days (at 7E11 mol/cm3)

Fraction sorbed to airborne particulates (phi):

0.00567 (Junge-Pankow, Mackay avg)

0.00326 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 1.218E+004 L/kg (MCI method)

Log Koc: 4.086 (MCI method)

Koc : 3.889E+004 L/kg (Kow method)

Log Koc: 4.590 (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 = 4.105 (BCF = 1.273e+004 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 2.1729 days (HL = 148.9 days)

Log BCF Arnot-Gobas method (upper trophic) = 3.853 (BCF = 7123)

Log BAF Arnot-Gobas method (upper trophic) = 6.650 (BAF = 4.465e+006)

log Kow used: 7.04 (estimated)

Volatilization from Water:

Henry LC: 0.00161 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 2.359 hours

Half-Life from Model Lake : 168.6 hours (7.027 days)

Removal In Wastewater Treatment:

Total removal: 93.88 percent

Total biodegradation: 0.78 percent

Total sludge adsorption: 92.99 percent

Total to Air: 0.12 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.174 3.53 1000

Water 7.93 1.44e+003 1000

Soil 87.1 2.88e+003 1000

Sediment 4.79 1.3e+004 0

Persistence Time: 1.45e+003 hr

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