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2-Methyl-7-phenyl-1H-indene
CC1=Cc2cccc(c2C1)c3ccccc3
InChI=1S/C16H14/c1-12-10-14-8-5-9-15(16(14)11-12)13-6-3-2-4-7-13/h2-10H,11H2,1H3
JQCCMEDYANGBOG-UHFFFAOYSA-N
CSID:3498613, http://www.chemspider.com/Chemical-Structure.3498613.html (accessed 03:11, May 13, 2024)
Validated by Experts, Validated by Users, Non-Validated, Removed by Users
Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00
Predicted data is generated using the US Environmental Protection Agency�s EPISuite
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 5.42 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 316.02 (Adapted Stein & Brown method) Melting Pt (deg C): 76.12 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.000272 (Modified Grain method) Subcooled liquid VP: 0.00083 mm Hg (25 deg C, Mod-Grain method) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 0.9626 log Kow used: 5.42 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.59635 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.48E-003 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 7.670E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.42 (KowWin est) Log Kaw used: -0.737 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 6.157 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7774 Biowin2 (Non-Linear Model) : 0.8674 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7653 (weeks ) Biowin4 (Primary Survey Model) : 3.5550 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1906 Biowin6 (MITI Non-Linear Model): 0.0809 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.0099 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 1.1561 BioHC Half-Life (days) : 14.3256 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 0.111 Pa (0.00083 mm Hg) Log Koa (Koawin est ): 6.157 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.71E-005 Octanol/air (Koa) model: 3.52E-007 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.000978 Mackay model : 0.00216 Octanol/air (Koa) model: 2.82E-005 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 327.6919 E-12 cm3/molecule-sec Half-Life = 0.033 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 23.501 Min Ozone Reaction: OVERALL Ozone Rate Constant = 232.166245 E-17 cm3/molecule-sec Half-Life = 0.005 Days (at 7E11 mol/cm3) Half-Life = 7.108 Min Fraction sorbed to airborne particulates (phi): 0.00157 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 3.078E+004 Log Koc: 4.488 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Rate constants can NOT be estimated for this structure! Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 3.470 (BCF = 2953) log Kow used: 5.42 (estimated) Volatilization from Water: Henry LC: 0.00448 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.653 hours Half-Life from Model Lake : 138.5 hours (5.77 days) Removal In Wastewater Treatment: Total removal: 89.93 percent Total biodegradation: 0.62 percent Total sludge adsorption: 79.60 percent Total to Air: 9.71 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.012 0.103 1000 Water 10.6 360 1000 Soil 60.7 720 1000 Sediment 28.7 3.24e+003 0 Persistence Time: 566 hr
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