Try beta.chemspider
Spiro[cyclopropane-1,1'-indene]
c1ccc2c(c1)C=CC23CC3
InChI=1S/C11H10/c1-2-4-10-9(3-1)5-6-11(10)7-8-11/h1-6H,7-8H2
XTGPJCNIOPWATL-UHFFFAOYSA-N
CSID:2036214, http://www.chemspider.com/Chemical-Structure.2036214.html (accessed 14:57, Apr 25, 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) = 4.01 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 213.38 (Adapted Stein & Brown method) Melting Pt (deg C): 29.37 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.155 (Modified Grain method) Subcooled liquid VP: 0.17 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): 30.84 log Kow used: 4.01 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 10.246 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.23E-003 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 9.404E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.01 (KowWin est) Log Kaw used: -1.299 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 5.309 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.4959 Biowin2 (Non-Linear Model) : 0.3244 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.6728 (weeks-months) Biowin4 (Primary Survey Model) : 3.4891 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4414 Biowin6 (MITI Non-Linear Model): 0.4576 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.2669 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 2.1667 BioHC Half-Life (days) : 146.7751 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 22.7 Pa (0.17 mm Hg) Log Koa (Koawin est ): 5.309 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.32E-007 Octanol/air (Koa) model: 5E-008 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 4.78E-006 Mackay model : 1.06E-005 Octanol/air (Koa) model: 4E-006 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 60.4952 E-12 cm3/molecule-sec Half-Life = 0.177 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.122 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 2.100000 E-17 cm3/molecule-sec Half-Life = 0.546 Days (at 7E11 mol/cm3) Half-Life = 13.097 Hrs Fraction sorbed to airborne particulates (phi): 7.68E-006 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 3153 Log Koc: 3.499 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 = 2.388 (BCF = 244.2) log Kow used: 4.01 (estimated) Volatilization from Water: Henry LC: 0.00123 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.784 hours Half-Life from Model Lake : 119.5 hours (4.977 days) Removal In Wastewater Treatment: Total removal: 50.82 percent Total biodegradation: 0.25 percent Total sludge adsorption: 26.38 percent Total to Air: 24.20 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.279 3.2 1000 Water 9.95 900 1000 Soil 87.4 1.8e+003 1000 Sediment 2.4 8.1e+003 0 Persistence Time: 872 hr
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