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CAS Number: 1203-17-4

SMILES : c(c(ccc1)C(C2C)(C)C)(c1)C2(C)C

CHEM : 1H-Indene, 2,3-dihydro-1,1,2,3,3-pentamethyl-

MOL FOR: C14 H20

MOL WT : 188.32

------------------------------ EPI SUMMARY (v4.11) --------------------------

Physical Property Inputs:

Log Kow (octanol-water): ------

Boiling Point (deg C) : ------

Melting Point (deg C) : ------

Vapor Pressure (mm Hg) : ------

Water Solubility (mg/L): ------

Henry LC (atm-m3/mole) : ------

Log Octanol-Water Partition Coef (SRC):

Log Kow (KOWWIN v1.68 estimate) = 5.63

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

Boiling Pt (deg C): 239.38 (Adapted Stein & Brown method)

Melting Pt (deg C): 40.93 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.0328 (Modified Grain method)

VP (Pa, 25 deg C) : 4.38 (Modified Grain method)

Subcooled liquid VP: 0.0458 mm Hg (25 deg C, Mod-Grain method)

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

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

Water Solubility at 25 deg C (mg/L): 0.7857

log Kow used: 5.63 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 0.64738 mg/L

ECOSAR Class Program (ECOSAR v1.11):

Class(es) found:

Neutral Organics

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

Bond Method : 1.58E-002 atm-m3/mole (1.60E+003 Pa-m3/mole)

Group Method: 3.54E-003 atm-m3/mole (3.58E+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: 1.034E-002 atm-m3/mole (1.048E+003 Pa-m3/mole)

VP: 0.0328 mm Hg (source: MPBPVP)

WS: 0.786 mg/L (source: WSKOWWIN)

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

Log Kow used: 5.63 (KowWin est)

Log Kaw used: -0.190 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 5.820

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.2900

Biowin2 (Non-Linear Model) : 0.0426

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.3588 (weeks-months)

Biowin4 (Primary Survey Model) : 3.2692 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.3345

Biowin6 (MITI Non-Linear Model): 0.1592

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.5725

Ready Biodegradability Prediction: NO

Hydrocarbon Biodegradation (BioHCwin v1.01):

LOG BioHC Half-Life (days) : 0.9117

BioHC Half-Life (days) : 8.1602

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

Vapor pressure (liquid/subcooled): 6.11 Pa (0.0458 mm Hg)

Log Koa (Koawin est ): 5.820

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

Mackay model : 4.91E-007

Octanol/air (Koa) model: 1.62E-007

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 1.77E-005

Mackay model : 3.93E-005

Octanol/air (Koa) model: 1.3E-005

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 7.8683 E-12 cm3/molecule-sec

Half-Life = 1.359 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 16.313 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

2.85E-005 (Junge-Pankow, Mackay avg)

1.3E-005 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 8446 L/kg (MCI method)

Log Koc: 3.927 (MCI method)

Koc : 7.689E+004 L/kg (Kow method)

Log Koc: 4.886 (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 v3.01):

Log BCF from regression-based method = 3.379 (BCF = 2394 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 1.0313 days (HL = 10.75 days)

Log BCF Arnot-Gobas method (upper trophic) = 3.531 (BCF = 3395)

Log BAF Arnot-Gobas method (upper trophic) = 3.978 (BAF = 9497)

log Kow used: 5.63 (estimated)

Volatilization from Water:

Henry LC: 0.00354 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 1.627 hours

Half-Life from Model Lake : 132.8 hours (5.534 days)

Removal In Wastewater Treatment:

Total removal: 90.99 percent

Total biodegradation: 0.68 percent

Total sludge adsorption: 84.89 percent

Total to Air: 5.42 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 2.1 32.6 1000

Water 9.44 900 1000

Soil 83.9 1.8e+003 1000

Sediment 4.53 8.1e+003 0

Persistence Time: 869 hr

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