Try beta.chemspider
- Double-bond stereo
1,1,4,4-Tetramethyl-6-[(1E)-1-(4-methylphenyl)-1-propen-2-yl]-1,2,3,4-tetrahydronaphthalene
Cc1ccc(cc1)/C=C(\C)/c2ccc3c(c2)C(CCC3(C)C)(C)C
InChI=1S/C24H30/c1-17-7-9-19(10-8-17)15-18(2)20-11-12-21-22(16-20)24(5,6)14-13-23(21,3)4/h7-12,15-16H,13-14H2,1-6H3/b18-15+
NWBMMYQZVGLDAY-OBGWFSINSA-N
CSID:4939959, http://www.chemspider.com/Chemical-Structure.4939959.html (accessed 06:18, Apr 26, 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) = 9.33 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 397.72 (Adapted Stein & Brown method) Melting Pt (deg C): 143.03 (Mean or Weighted MP) VP(mm Hg,25 deg C): 6.04E-007 (Modified Grain method) Subcooled liquid VP: 9.45E-006 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): 0.0001039 log Kow used: 9.33 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.00016917 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 6.29E-004 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.436E-003 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 9.33 (KowWin est) Log Kaw used: -1.590 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 10.920 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.2827 Biowin2 (Non-Linear Model) : 0.0123 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.9962 (months ) Biowin4 (Primary Survey Model) : 3.0128 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0465 Biowin6 (MITI Non-Linear Model): 0.0159 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.5836 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 0.7477 BioHC Half-Life (days) : 5.5937 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 0.00126 Pa (9.45E-006 mm Hg) Log Koa (Koawin est ): 10.920 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00238 Octanol/air (Koa) model: 0.0204 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0792 Mackay model : 0.16 Octanol/air (Koa) model: 0.62 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 100.2979 E-12 cm3/molecule-sec Half-Life = 0.107 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.280 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 163.799988 E-17 cm3/molecule-sec Half-Life = 0.007 Days (at 7E11 mol/cm3) Half-Life = 10.075 Min Fraction sorbed to airborne particulates (phi): 0.12 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 3.736E+006 Log Koc: 6.572 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 = 1.624 (BCF = 42.09) log Kow used: 9.33 (estimated) Volatilization from Water: Henry LC: 0.000629 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 3.482 hours Half-Life from Model Lake : 187.6 hours (7.818 days) Removal In Wastewater Treatment: Total removal: 94.03 percent Total biodegradation: 0.78 percent Total sludge adsorption: 93.26 percent Total to Air: 0.00 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.00162 0.158 1000 Water 1.4 1.44e+003 1000 Soil 29.6 2.88e+003 1000 Sediment 69 1.3e+004 0 Persistence Time: 4.67e+003 hr
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