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CAS Number: 17059-48-2

SMILES : c(cc(CC1)c2C1C)c(c2)C

CHEM : 1H-INDENE, 2,3-DIHYDRO-1,6-DIMETHYL-

MOL FOR: C11 H14

MOL WT : 146.23

------------------------------ EPI SUMMARY (v4.10) --------------------------

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) = 4.43

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

Boiling Pt (deg C): 213.91 (Adapted Stein & Brown method)

Melting Pt (deg C): 10.61 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.179 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 23.9 (Mean VP of Antoine & Grain methods)

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

Water Solubility at 25 deg C (mg/L): 12.95

log Kow used: 4.43 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 8.9966 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 5.63E-003 atm-m3/mole (5.70E+002 Pa-m3/mole)

Group Method: 1.77E-003 atm-m3/mole (1.80E+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: 2.660E-003 atm-m3/mole (2.695E+002 Pa-m3/mole)

VP: 0.179 mm Hg (source: MPBPVP)

WS: 12.9 mg/L (source: WSKOWWIN)

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

Log Kow used: 4.43 (KowWin est)

Log Kaw used: -0.638 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 5.068

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.8419

Biowin2 (Non-Linear Model) : 0.9348

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.6515 (weeks-months)

Biowin4 (Primary Survey Model) : 3.4312 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.2979

Biowin6 (MITI Non-Linear Model): 0.3465

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.2247

Ready Biodegradability Prediction: NO

Hydrocarbon Biodegradation (BioHCwin v1.01):

LOG BioHC Half-Life (days) : 0.7892

BioHC Half-Life (days) : 6.1541

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

Vapor pressure (liquid/subcooled): 22 Pa (0.165 mm Hg)

Log Koa (Koawin est ): 5.068

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

Mackay model : 1.36E-007

Octanol/air (Koa) model: 2.87E-008

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 4.93E-006

Mackay model : 1.09E-005

Octanol/air (Koa) model: 2.3E-006

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 18.1830 E-12 cm3/molecule-sec

Half-Life = 0.588 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 7.059 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

7.92E-006 (Junge-Pankow, Mackay avg)

2.3E-006 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 2226 L/kg (MCI method)

Log Koc: 3.347 (MCI method)

Koc : 6989 L/kg (Kow method)

Log Koc: 3.844 (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 = 2.591 (BCF = 389.7 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.1468 days (HL = 0.7132 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.435 (BCF = 272.2)

Log BAF Arnot-Gobas method (upper trophic) = 2.435 (BAF = 272.4)

log Kow used: 4.43 (estimated)

Volatilization from Water:

Henry LC: 0.00177 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 1.634 hours

Half-Life from Model Lake : 119.2 hours (4.968 days)

Removal In Wastewater Treatment:

Total removal: 67.18 percent

Total biodegradation: 0.37 percent

Total sludge adsorption: 45.20 percent

Total to Air: 21.62 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 1.38 14.1 1000

Water 11.5 900 1000

Soil 85.7 1.8e+003 1000

Sediment 1.45 8.1e+003 0

Persistence Time: 741 hr

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