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CAS Num: 003910-35-8

SMILES : c(c(ccc1)C(C2)(C)C)(c1)C2(c(cccc3)c3)C

CHEM : 1H-Indene, 2,3-dihydro-1,1,3-trimethyl-3-phenyl-

MOL FOR: C18 H20

MOL WT : 236.36

------------------------------ 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) = 5.91

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

Boiling Pt (deg C): 325.45 (Adapted Stein & Brown method)

Melting Pt (deg C): 99.69 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.000693 (Modified Grain method)

VP (Pa, 25 deg C) : 0.0924 (Modified Grain method)

MP (exp database): 52.5 deg C

BP (exp database): 308.5 deg C

Subcooled liquid VP: 0.00124 mm Hg (25 deg C, Mod-Grain method)

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

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

Water Solubility at 25 deg C (mg/L): 0.2525

log Kow used: 5.91 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 0.033947 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 7.25E-004 atm-m3/mole (7.35E+001 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: 8.536E-004 atm-m3/mole (8.649E+001 Pa-m3/mole)

VP: 0.000693 mm Hg (source: MPBPVP)

WS: 0.253 mg/L (source: WSKOWWIN)

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

Log Kow used: 5.91 (KowWin est)

Log Kaw used: -1.528 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 7.438

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.3953

Biowin2 (Non-Linear Model) : 0.1197

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.2746 (weeks-months)

Biowin4 (Primary Survey Model) : 3.2047 (weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.2391

Biowin6 (MITI Non-Linear Model): 0.1068

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.8318

Ready Biodegradability Prediction: NO

Hydrocarbon Biodegradation (BioHCwin v1.01):

LOG BioHC Half-Life (days) : 1.2930

BioHC Half-Life (days) : 19.6327

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

Vapor pressure (liquid/subcooled): 0.165 Pa (0.00124 mm Hg)

Log Koa (Koawin est ): 7.438

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

Mackay model : 1.81E-005

Octanol/air (Koa) model: 6.73E-006

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.000655

Mackay model : 0.00145

Octanol/air (Koa) model: 0.000538

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 10.8554 E-12 cm3/molecule-sec

Half-Life = 0.985 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 11.824 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.00105 (Junge-Pankow, Mackay avg)

0.000538 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 1.126E+005 L/kg (MCI method)

Log Koc: 5.051 (MCI method)

Koc : 1.346E+005 L/kg (Kow method)

Log Koc: 5.129 (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 = 3.566 (BCF = 3681 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 0.8895 days (HL = 7.754 days)

Log BCF Arnot-Gobas method (upper trophic) = 3.395 (BCF = 2482)

Log BAF Arnot-Gobas method (upper trophic) = 3.869 (BAF = 7388)

log Kow used: 5.91 (estimated)

Volatilization from Water:

Henry LC: 0.000725 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 2.81 hours

Half-Life from Model Lake : 159.6 hours (6.649 days)

Removal In Wastewater Treatment:

Total removal: 91.87 percent

Total biodegradation: 0.76 percent

Total sludge adsorption: 90.38 percent

Total to Air: 0.73 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.823 23.6 1000

Water 5.97 900 1000

Soil 60.1 1.8e+003 1000

Sediment 33.2 8.1e+003 0

Persistence Time: 1.44e+003 hr

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