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CAS Number: 1337-89-9


CHEM : 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4

a-dimethyl-7-(1-methylethyl)-, ester with 1,2,3-pr

MOL FOR: C23 H32 O4

MOL WT : 372.51

------------------------------ 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) = 4.83

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

Boiling Pt (deg C): 466.67 (Adapted Stein & Brown method)

Melting Pt (deg C): 193.94 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 1.14E-011 (Modified Grain method)

VP (Pa, 25 deg C) : 1.51E-009 (Modified Grain method)

Subcooled liquid VP: 6.76E-010 mm Hg (25 deg C, Mod-Grain method)

: 9.01E-008 Pa (25 deg C, Mod-Grain method)

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

Water Solubility at 25 deg C (mg/L): 0.3377

log Kow used: 4.83 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 3.8893 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:


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

Bond Method : 3.09E-009 atm-m3/mole (3.13E-004 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: 1.655E-011 atm-m3/mole (1.677E-006 Pa-m3/mole)

VP: 1.14E-011 mm Hg (source: MPBPVP)

WS: 0.338 mg/L (source: WSKOWWIN)

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

Log Kow used: 4.83 (KowWin est)

Log Kaw used: -6.898 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 11.728

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.6940

Biowin2 (Non-Linear Model) : 0.6429

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.4119 (weeks-months)

Biowin4 (Primary Survey Model) : 3.4913 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.5069

Biowin6 (MITI Non-Linear Model): 0.1801

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.6812

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): 9.01E-008 Pa (6.76E-010 mm Hg)

Log Koa (Koawin est ): 11.728

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

Mackay model : 33.3

Octanol/air (Koa) model: 0.131

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.999

Mackay model : 1

Octanol/air (Koa) model: 0.913

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 408.1460 E-12 cm3/molecule-sec

Half-Life = 0.026 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 18.869 Min

Ozone Reaction:

OVERALL Ozone Rate Constant = 39.487499 E-17 cm3/molecule-sec

Half-Life = 0.029 Days (at 7E11 mol/cm3)

Half-Life = 41.791 Min

Fraction sorbed to airborne particulates (phi):

0.999 (Junge-Pankow, Mackay avg)

0.913 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 1984 L/kg (MCI method)

Log Koc: 3.298 (MCI method)

Koc : 510.8 L/kg (Kow method)

Log Koc: 2.708 (Kow method)

Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:

Total Kb for pH > 8 at 25 deg C : 1.159E-004 L/mol-sec

Kb Half-Life at pH 8: 189.580 years

Kb Half-Life at pH 7: 1895.798 years

(Total Kb applies only to esters, carbmates, alkyl halides)

Bioaccumulation Estimates (BCFBAF v3.01):

Log BCF from regression-based method = 2.855 (BCF = 716.6 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.3981 days (HL = 0.3999 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.217 (BCF = 164.6)

Log BAF Arnot-Gobas method (upper trophic) = 2.217 (BAF = 164.7)

log Kow used: 4.83 (estimated)

Volatilization from Water:

Henry LC: 3.09E-009 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 3.657E+005 hours (1.524E+004 days)

Half-Life from Model Lake : 3.99E+006 hours (1.662E+005 days)

Removal In Wastewater Treatment:

Total removal: 71.60 percent

Total biodegradation: 0.64 percent

Total sludge adsorption: 70.96 percent

Total to Air: 0.00 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.0145 0.331 1000

Water 17.6 900 1000

Soil 80.4 1.8e+003 1000

Sediment 1.97 8.1e+003 0

Persistence Time: 1.08e+003 hr

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