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2',3-Dimethyl-4-biphenylamine
Cc1ccccc1c2ccc(c(c2)C)N
InChI=1S/C14H15N/c1-10-5-3-4-6-13(10)12-7-8-14(15)11(2)9-12/h3-9H,15H2,1-2H3
HSQVHYANHDSFFI-UHFFFAOYSA-N
CSID:24174, http://www.chemspider.com/Chemical-Structure.24174.html (accessed 01:46, Apr 27, 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) = 3.93 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 350.51 (Adapted Stein & Brown method) Melting Pt (deg C): 110.01 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.88E-005 (Modified Grain method) Subcooled liquid VP: 0.000128 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): 19.71 log Kow used: 3.93 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 13.361 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aromatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.78E-007 atm-m3/mole Group Method: 1.99E-007 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 2.476E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.93 (KowWin est) Log Kaw used: -5.138 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 9.068 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5292 Biowin2 (Non-Linear Model) : 0.3669 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.4786 (weeks-months) Biowin4 (Primary Survey Model) : 3.3177 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1080 Biowin6 (MITI Non-Linear Model): 0.0502 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.8533 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): 0.0171 Pa (0.000128 mm Hg) Log Koa (Koawin est ): 9.068 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000176 Octanol/air (Koa) model: 0.000287 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00631 Mackay model : 0.0139 Octanol/air (Koa) model: 0.0225 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 98.6958 E-12 cm3/molecule-sec Half-Life = 0.108 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.300 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0101 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 4624 Log Koc: 3.665 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 = 2.330 (BCF = 213.6) log Kow used: 3.93 (estimated) Volatilization from Water: Henry LC: 1.99E-007 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 4134 hours (172.2 days) Half-Life from Model Lake : 4.521E+004 hours (1884 days) Removal In Wastewater Treatment: Total removal: 26.98 percent Total biodegradation: 0.30 percent Total sludge adsorption: 26.68 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 0.103 2.6 1000 Water 16.8 900 1000 Soil 79.7 1.8e+003 1000 Sediment 3.37 8.1e+003 0 Persistence Time: 1.12e+003 hr
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