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CAS Number: 472-07-1

SMILES : CC(C)C1CCC2(CCCC(=C)C2C1O)C

CHEM : (1S,2S,4aR,8aS)-4a-methyl-8-methylidene-2-propan-2-yl-1,2,3,4,5,6,7,8

a-octahydronaphthalen-1-ol

MOL FOR: C15 H26 O1

MOL WT : 222.37

------------------------------ EPI SUMMARY (v4.00) --------------------------

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 v1.67 estimate) = 4.85

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

Boiling Pt (deg C): 295.21 (Adapted Stein & Brown method)

Melting Pt (deg C): 70.54 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 6.82E-005 (Modified Grain method)

VP (Pa, 25 deg C) : 0.0091 (Modified Grain method)

Subcooled liquid VP: 0.000183 mm Hg (25 deg C, Mod-Grain method)

: 0.0244 Pa (25 deg C, Mod-Grain method)

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

Water Solubility at 25 deg C (mg/L): 7.822

log Kow used: 4.85 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 11.082 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 2.43E-005 atm-m3/mole (2.46E+000 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: 2.551E-006 atm-m3/mole (2.585E-001 Pa-m3/mole)

VP: 6.82E-005 mm Hg (source: MPBPVP)

WS: 7.82 mg/L (source: WSKOWWIN)

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

Log Kow used: 4.85 (KowWin est)

Log Kaw used: -3.003 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 7.853

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.6165

Biowin2 (Non-Linear Model) : 0.3199

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.6556 (weeks-months)

Biowin4 (Primary Survey Model) : 3.5029 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.3782

Biowin6 (MITI Non-Linear Model): 0.1570

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.3987

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): 0.0244 Pa (0.000183 mm Hg)

Log Koa (Koawin est ): 7.853

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

Mackay model : 0.000123

Octanol/air (Koa) model: 1.75E-005

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.00442

Mackay model : 0.00974

Octanol/air (Koa) model: 0.0014

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 78.0468 E-12 cm3/molecule-sec

Half-Life = 0.137 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 1.645 Hrs

Ozone Reaction:

OVERALL Ozone Rate Constant = 1.200000 E-17 cm3/molecule-sec

Half-Life = 0.955 Days (at 7E11 mol/cm3)

Half-Life = 22.920 Hrs

Fraction sorbed to airborne particulates (phi):

0.00708 (Junge-Pankow, Mackay avg)

0.0014 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 1473 L/kg (MCI method)

Log Koc: 3.168 (MCI method)

Koc : 1572 L/kg (Kow method)

Log Koc: 3.196 (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 = 2.866 (BCF = 734.9 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 0.9315 days (HL = 8.54 days)

Log BCF Arnot-Gobas method (upper trophic) = 3.353 (BCF = 2254)

Log BAF Arnot-Gobas method (upper trophic) = 3.435 (BAF = 2720)

log Kow used: 4.85 (estimated)

Volatilization from Water:

Henry LC: 2.43E-005 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 37.45 hours (1.56 days)

Half-Life from Model Lake : 533.6 hours (22.23 days)

Removal In Wastewater Treatment:

Total removal: 72.54 percent

Total biodegradation: 0.64 percent

Total sludge adsorption: 71.59 percent

Total to Air: 0.31 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.145 2.88 1000

Water 16.5 900 1000

Soil 82 1.8e+003 1000

Sediment 1.36 8.1e+003 0

Persistence Time: 1.03e+003 hr

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