10,10'-Bi(trispiro[2.0.2~4~.0.2~7~.1~3~]decan)-10(10')-ene
C1CC12C(=C3C4(CC4)C5(C36CC6)CC5)C7(C28CC8)CC7
InChI=1S/C20H24/c1-2-15(1)13(16(3-4-16)19(15)9-10-19)14-17(5-6-17)20(11-12-20)18(14)7-8-18/h1-12H2
HKDTTYCVDBFNOH-UHFFFAOYSA-N
CSID:2032988, http://www.chemspider.com/Chemical-Structure.2032988.html (accessed 05:27, Apr 20, 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) = 8.49 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 312.51 (Adapted Stein & Brown method) Melting Pt (deg C): 125.02 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.000191 (Modified Grain method) Subcooled liquid VP: 0.0019 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): 0.0003174 log Kow used: 8.49 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.00045261 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.81E-002 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.094E-001 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 8.49 (KowWin est) Log Kaw used: 0.060 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 8.430 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.4819 Biowin2 (Non-Linear Model) : 0.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.3421 (recalcitrant) Biowin4 (Primary Survey Model) : 2.5456 (weeks-months) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5679 Biowin6 (MITI Non-Linear Model): 0.5311 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -2.6095 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 9.0419 BioHC Half-Life (days) : 1101341312.0000 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 0.253 Pa (0.0019 mm Hg) Log Koa (Koawin est ): 8.430 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.18E-005 Octanol/air (Koa) model: 6.61E-005 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.000428 Mackay model : 0.000946 Octanol/air (Koa) model: 0.00526 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 110.3391 E-12 cm3/molecule-sec Half-Life = 0.097 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.163 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 0.175000 E-17 cm3/molecule-sec Half-Life = 6.549 Days (at 7E11 mol/cm3) Fraction sorbed to airborne particulates (phi): 0.000687 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 6.272E+005 Log Koc: 5.797 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 = 2.762 (BCF = 577.9) log Kow used: 8.49 (estimated) Volatilization from Water: Henry LC: 0.0281 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.693 hours Half-Life from Model Lake : 154.8 hours (6.451 days) Removal In Wastewater Treatment: Total removal: 94.04 percent Total biodegradation: 0.78 percent Total sludge adsorption: 93.19 percent Total to Air: 0.07 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.0101 2.29 1000 Water 0.754 4.32e+003 1000 Soil 39.2 8.64e+003 1000 Sediment 60 3.89e+004 0 Persistence Time: 1.06e+004 hr
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