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CAS Num: 019407-28-4

SMILES : c(cc(c1CC2)C(CCC3)(C2C3(C)C)C)c(c1)C(C)C

CHEM : Phenanthrene, 1,2,3,4,4a,9,10,10a-octahydro-1,1,4a-trimethyl-7-(1-met

hylethyl)-, (4aS-trans)- (9CI)

MOL FOR: C20 H30

MOL WT : 270.46

------------------------------ 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) = 7.76

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

Boiling Pt (deg C): 331.82 (Adapted Stein & Brown method)

Melting Pt (deg C): 103.68 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 6.04E-005 (Modified Grain method)

VP (Pa, 25 deg C) : 0.00805 (Modified Grain method)

Subcooled liquid VP: 0.000354 mm Hg (25 deg C, Mod-Grain method)

: 0.0473 Pa (25 deg C, Mod-Grain method)

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

Water Solubility at 25 deg C (mg/L): 0.004297

log Kow used: 7.76 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 0.0038159 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 3.18E-002 atm-m3/mole (3.22E+003 Pa-m3/mole)

Group Method: 4.77E-003 atm-m3/mole (4.83E+002 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: 5.002E-003 atm-m3/mole (5.068E+002 Pa-m3/mole)

VP: 6.04E-005 mm Hg (source: MPBPVP)

WS: 0.0043 mg/L (source: WSKOWWIN)

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

Log Kow used: 7.76 (KowWin est)

Log Kaw used: 0.114 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 7.646

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.3603

Biowin2 (Non-Linear Model) : 0.0421

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.0275 (months )

Biowin4 (Primary Survey Model) : 3.0136 (weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.0954

Biowin6 (MITI Non-Linear Model): 0.0443

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -1.1603

Ready Biodegradability Prediction: NO

Hydrocarbon Biodegradation (BioHCwin v1.01):

LOG BioHC Half-Life (days) : 4.3432

BioHC Half-Life (days) : 22038.8574

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

Vapor pressure (liquid/subcooled): 0.0472 Pa (0.000354 mm Hg)

Log Koa (Koawin est ): 7.646

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

Mackay model : 6.36E-005

Octanol/air (Koa) model: 1.09E-005

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.00229

Mackay model : 0.00506

Octanol/air (Koa) model: 0.000868

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 26.9774 E-12 cm3/molecule-sec

Half-Life = 0.396 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 4.758 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.00367 (Junge-Pankow, Mackay avg)

0.000868 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 2.957E+005 L/kg (MCI method)

Log Koc: 5.471 (MCI method)

Koc : 5.426E+006 L/kg (Kow method)

Log Koc: 6.735 (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 = 3.752 (BCF = 5652 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 1.6059 days (HL = 40.35 days)

Log BCF Arnot-Gobas method (upper trophic) = 3.006 (BCF = 1015)

Log BAF Arnot-Gobas method (upper trophic) = 5.806 (BAF = 6.391e+005)

log Kow used: 7.76 (estimated)

Volatilization from Water:

Henry LC: 0.00477 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 1.88 hours

Half-Life from Model Lake : 158.4 hours (6.6 days)

Removal In Wastewater Treatment:

Insufficient Data Available to Estimate Wastewater Treatment Plant.

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.0389 9.52 1000

Water 0.764 4.32e+003 1000

Soil 39.6 8.64e+003 1000

Sediment 59.6 3.89e+004 0

Persistence Time: 1.05e+004 hr

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