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2-Isopropylidene-8,8a-dimethyl-1,2,3,7,8,8a-hexahydronaphthalene
CC1CC=CC2=CCC(=C(C)C)CC12C
InChI=1S/C15H22/c1-11(2)13-8-9-14-7-5-6-12(3)15(14,4)10-13/h5,7,9,12H,6,8,10H2,1-4H3
QSUQBXKPPUWLTH-UHFFFAOYSA-N
CSID:529166, http://www.chemspider.com/Chemical-Structure.529166.html (accessed 18:04, 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) = 6.14 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 264.24 (Adapted Stein & Brown method) Melting Pt (deg C): 41.21 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.0153 (Modified Grain method) Subcooled liquid VP: 0.0214 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): 0.07084 log Kow used: 6.14 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.96434 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 6.89E-001 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 5.750E-002 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.14 (KowWin est) Log Kaw used: 1.450 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 4.690 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.4673 Biowin2 (Non-Linear Model) : 0.1697 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.5399 (weeks-months) Biowin4 (Primary Survey Model) : 3.4024 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2696 Biowin6 (MITI Non-Linear Model): 0.1022 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.3576 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 1.6320 BioHC Half-Life (days) : 42.8598 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 2.85 Pa (0.0214 mm Hg) Log Koa (Koawin est ): 4.690 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.05E-006 Octanol/air (Koa) model: 1.2E-008 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 3.8E-005 Mackay model : 8.41E-005 Octanol/air (Koa) model: 9.62E-007 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 306.7732 E-12 cm3/molecule-sec Half-Life = 0.035 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 25.104 Min Ozone Reaction: OVERALL Ozone Rate Constant = 154.222504 E-17 cm3/molecule-sec Half-Life = 0.007 Days (at 7E11 mol/cm3) Half-Life = 10.700 Min Reaction With Nitrate Radicals May Be Important! Fraction sorbed to airborne particulates (phi): 6.1E-005 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2.32E+004 Log Koc: 4.365 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 = 4.026 (BCF = 1.062e+004) log Kow used: 6.14 (estimated) Volatilization from Water: Henry LC: 0.689 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.453 hours Half-Life from Model Lake : 135.1 hours (5.63 days) Removal In Wastewater Treatment (recommended maximum 95%): Total removal: 99.26 percent Total biodegradation: 0.23 percent Total sludge adsorption: 62.15 percent Total to Air: 36.88 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.00625 0.147 1000 Water 3.71 900 1000 Soil 30.9 1.8e+003 1000 Sediment 65.4 8.1e+003 0 Persistence Time: 1.82e+003 hr
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