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3,3,5,5-Tetramethyl-N-(4-methylphenyl)-1,2,3,4,5,6,7,8-octahydro-2-naphthalenamine
Cc1ccc(cc1)NC2CC3=C(CC2(C)C)C(CCC3)(C)C
InChI=1S/C21H31N/c1-15-8-10-17(11-9-15)22-19-13-16-7-6-12-20(2,3)18(16)14-21(19,4)5/h8-11,19,22H,6-7,12-14H2,1-5H3
DEFWCXJARLUKKM-UHFFFAOYSA-N
CSID:2106260, http://www.chemspider.com/Chemical-Structure.2106260.html (accessed 02:52, Jul 4, 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) = 7.25 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 374.37 (Adapted Stein & Brown method) Melting Pt (deg C): 137.70 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.53E-006 (Modified Grain method) Subcooled liquid VP: 3.46E-005 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): 0.008209 log Kow used: 7.25 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.079662 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.37E-005 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.206E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 7.25 (KowWin est) Log Kaw used: -2.748 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 9.998 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.0590 Biowin2 (Non-Linear Model) : 0.0025 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.9077 (months ) Biowin4 (Primary Survey Model) : 2.9347 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.0083 Biowin6 (MITI Non-Linear Model): 0.0102 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.7426 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): 0.00461 Pa (3.46E-005 mm Hg) Log Koa (Koawin est ): 9.998 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00065 Octanol/air (Koa) model: 0.00244 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0229 Mackay model : 0.0495 Octanol/air (Koa) model: 0.164 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 186.0124 E-12 cm3/molecule-sec Half-Life = 0.058 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.690 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 88.724998 E-17 cm3/molecule-sec Half-Life = 0.013 Days (at 7E11 mol/cm3) Half-Life = 18.599 Min Fraction sorbed to airborne particulates (phi): 0.0362 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 9.331E+004 Log Koc: 4.970 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 = 4.471 (BCF = 2.957e+004) log Kow used: 7.25 (estimated) Volatilization from Water: Henry LC: 4.37E-005 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 24.87 hours (1.036 days) Half-Life from Model Lake : 415.9 hours (17.33 days) Removal In Wastewater Treatment: Total removal: 93.93 percent Total biodegradation: 0.78 percent Total sludge adsorption: 93.15 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 0.00266 0.253 1000 Water 1.5 1.44e+003 1000 Soil 30.2 2.88e+003 1000 Sediment 68.3 1.3e+004 0 Persistence Time: 4.58e+003 hr
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