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CAS Num: 000666-84-2

SMILES : OCC(CCC1)(C)C(CC=C2C=C3C(C)C)C1(C2CC3)C

CHEM : (1R-(1x,4a,4b,10a))-1,2,3,4,4a,4b,5,6,10,10a-Decahydro-1,4a-dimethyl-

7-(1-methylethyl)-1-phenanthrenemethanol

MOL FOR: C20 H32 O1

MOL WT : 288.48

------------------------------ 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) = 6.23

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

Boiling Pt (deg C): 367.56 (Adapted Stein & Brown method)

Melting Pt (deg C): 124.26 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 1.67E-007 (Modified Grain method)

VP (Pa, 25 deg C) : 2.23E-005 (Modified Grain method)

Subcooled liquid VP: 1.63E-006 mm Hg (25 deg C, Mod-Grain method)

: 0.000217 Pa (25 deg C, Mod-Grain method)

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

Water Solubility at 25 deg C (mg/L): 0.2204

log Kow used: 6.23 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 0.20173 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 4.41E-005 atm-m3/mole (4.47E+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: 2.876E-007 atm-m3/mole (2.914E-002 Pa-m3/mole)

VP: 1.67E-007 mm Hg (source: MPBPVP)

WS: 0.22 mg/L (source: WSKOWWIN)

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

Log Kow used: 6.23 (KowWin est)

Log Kaw used: -2.744 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 8.974

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.4011

Biowin2 (Non-Linear Model) : 0.0318

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.2974 (weeks-months)

Biowin4 (Primary Survey Model) : 3.2541 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.3063

Biowin6 (MITI Non-Linear Model): 0.0851

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.9460

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): 0.000217 Pa (1.63E-006 mm Hg)

Log Koa (Koawin est ): 8.974

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

Mackay model : 0.0138

Octanol/air (Koa) model: 0.000231

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.333

Mackay model : 0.525

Octanol/air (Koa) model: 0.0182

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 281.2649 E-12 cm3/molecule-sec

Half-Life = 0.038 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 27.380 Min

Ozone Reaction:

OVERALL Ozone Rate Constant = 1000.000000 E-17 cm3/molecule-sec

Half-Life = 0.001 Days (at 7E11 mol/cm3)

Half-Life = 1.650 Min

Reaction With Nitrate Radicals May Be Important!

Fraction sorbed to airborne particulates (phi):

0.429 (Junge-Pankow, Mackay avg)

0.0182 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 2.787E+004 L/kg (MCI method)

Log Koc: 4.445 (MCI method)

Koc : 9113 L/kg (Kow method)

Log Koc: 3.960 (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 = 3.779 (BCF = 6016 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 1.2418 days (HL = 17.45 days)

Log BCF Arnot-Gobas method (upper trophic) = 3.636 (BCF = 4325)

Log BAF Arnot-Gobas method (upper trophic) = 4.838 (BAF = 6.894e+004)

log Kow used: 6.23 (estimated)

Volatilization from Water:

Henry LC: 4.41E-005 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 24.28 hours (1.012 days)

Half-Life from Model Lake : 407.3 hours (16.97 days)

Removal In Wastewater Treatment:

Total removal: 92.93 percent

Total biodegradation: 0.77 percent

Total sludge adsorption: 92.12 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 0.0012 0.0267 1000

Water 12 900 1000

Soil 70.4 1.8e+003 1000

Sediment 17.6 8.1e+003 0

Persistence Time: 1.23e+003 hr

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