Try beta.chemspider
4',5',8'-Trimethyl-3',4'-dihydro-1'H-spiro[cyclohexane-1,2'-quinoline]
Cc1ccc(c2c1C(CC3(N2)CCCCC3)C)C
InChI=1S/C17H25N/c1-12-7-8-13(2)16-15(12)14(3)11-17(18-16)9-5-4-6-10-17/h7-8,14,18H,4-6,9-11H2,1-3H3
CPVRYKZRRIGGAN-UHFFFAOYSA-N
CSID:2052487, http://www.chemspider.com/Chemical-Structure.2052487.html (accessed 23:20, Aug 8, 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) = 5.84 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 345.46 (Adapted Stein & Brown method) Melting Pt (deg C): 122.64 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.81E-005 (Modified Grain method) Subcooled liquid VP: 0.000169 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): 0.2631 log Kow used: 5.84 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1.0572 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 7.94E-006 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.203E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.84 (KowWin est) Log Kaw used: -3.489 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 9.329 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.3780 Biowin2 (Non-Linear Model) : 0.0874 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.0897 (months ) Biowin4 (Primary Survey Model) : 3.0292 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1063 Biowin6 (MITI Non-Linear Model): 0.0588 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.5914 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 0.0225 Pa (0.000169 mm Hg) Log Koa (Koawin est ): 9.329 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000133 Octanol/air (Koa) model: 0.000524 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00479 Mackay model : 0.0105 Octanol/air (Koa) model: 0.0402 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 175.5820 E-12 cm3/molecule-sec Half-Life = 0.061 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.731 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.00766 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2.003E+004 Log Koc: 4.302 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 = 3.799 (BCF = 6302) log Kow used: 5.84 (estimated) Volatilization from Water: Henry LC: 7.94E-006 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 116.6 hours (4.86 days) Half-Life from Model Lake : 1403 hours (58.47 days) Removal In Wastewater Treatment: Total removal: 91.34 percent Total biodegradation: 0.76 percent Total sludge adsorption: 90.56 percent Total to Air: 0.01 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.0203 1.46 1000 Water 3.61 1.44e+003 1000 Soil 40.2 2.88e+003 1000 Sediment 56.2 1.3e+004 0 Persistence Time: 3.45e+003 hr
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