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CAS Number: 874-35-1
SMILES : c(cc(CC1)c2C1)c(c2)C
CHEM : 1H-INDENE, 2,3-DIHYDRO-5-METHYL-
MOL FOR: C10 H12
MOL WT : 132.21
------------------------------ 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) = 4.01
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 200.00 (Adapted Stein & Brown method)
Melting Pt (deg C): 3.03 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.326 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 43.5 (Mean VP of Antoine & Grain methods)
BP (exp database): 202 deg C
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 33.66
log Kow used: 4.01 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 26.868 mg/L
ECOSAR Class Program (ECOSAR v1.11):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 4.24E-003 atm-m3/mole (4.29E+002 Pa-m3/mole)
Group Method: 1.28E-003 atm-m3/mole (1.30E+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: 1.685E-003 atm-m3/mole (1.707E+002 Pa-m3/mole)
VP: 0.326 mm Hg (source: MPBPVP)
WS: 33.7 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 4.01 (KowWin est)
Log Kaw used: -0.761 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 4.771
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.8486
Biowin2 (Non-Linear Model) : 0.9460
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.6825 (weeks-months)
Biowin4 (Primary Survey Model) : 3.4514 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.2933
Biowin6 (MITI Non-Linear Model): 0.3461
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -0.1856
Ready Biodegradability Prediction: NO
Hydrocarbon Biodegradation (BioHCwin v1.01):
LOG BioHC Half-Life (days) : 0.4584
BioHC Half-Life (days) : 2.8733
Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
Vapor pressure (liquid/subcooled): 39.9 Pa (0.299 mm Hg)
Log Koa (Koawin est ): 4.771
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 7.53E-008
Octanol/air (Koa) model: 1.45E-008
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 2.72E-006
Mackay model : 6.02E-006
Octanol/air (Koa) model: 1.16E-006
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 17.9207 E-12 cm3/molecule-sec
Half-Life = 0.597 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 7.162 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
4.37E-006 (Junge-Pankow, Mackay avg)
1.16E-006 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 1360 L/kg (MCI method)
Log Koc: 3.133 (MCI method)
Koc : 3019 L/kg (Kow method)
Log Koc: 3.480 (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 = 2.315 (BCF = 206.6 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -0.3578 days (HL = 0.4387 days)
Log BCF Arnot-Gobas method (upper trophic) = 2.201 (BCF = 158.9)
Log BAF Arnot-Gobas method (upper trophic) = 2.201 (BAF = 158.9)
log Kow used: 4.01 (estimated)
Volatilization from Water:
Henry LC: 0.00128 atm-m3/mole (estimated by Group SAR Method)
Half-Life from Model River: 1.699 hours
Half-Life from Model Lake : 115 hours (4.79 days)
Removal In Wastewater Treatment:
Total removal: 51.36 percent
Total biodegradation: 0.25 percent
Total sludge adsorption: 26.28 percent
Total to Air: 24.84 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 1.48 14.3 1000
Water 12.4 900 1000
Soil 85.2 1.8e+003 1000
Sediment 0.94 8.1e+003 0
Persistence Time: 708 hr