Try beta.chemspider
1,2-Diphenylethanamine
c1ccc(cc1)CC(c2ccccc2)N
InChI=1S/C14H15N/c15-14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-10,14H,11,15H2
DTGGNTMERRTPLR-UHFFFAOYSA-N
CSID:24666, http://www.chemspider.com/Chemical-Structure.24666.html (accessed 09:14, 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) = 3.19 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 315.07 (Adapted Stein & Brown method) Melting Pt (deg C): 82.89 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.000304 (Modified Grain method) BP (exp database): 311 deg C Subcooled liquid VP: 0.00109 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): 860.2 log Kow used: 3.19 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 101.35 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Benzyl Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 6.55E-008 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 9.174E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.19 (KowWin est) Log Kaw used: -5.572 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 8.762 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.1183 Biowin2 (Non-Linear Model) : 0.9959 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7568 (weeks ) Biowin4 (Primary Survey Model) : 3.5476 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1752 Biowin6 (MITI Non-Linear Model): 0.1077 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.4067 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): 0.145 Pa (0.00109 mm Hg) Log Koa (Koawin est ): 8.762 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.06E-005 Octanol/air (Koa) model: 0.000142 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.000745 Mackay model : 0.00165 Octanol/air (Koa) model: 0.0112 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 53.8115 E-12 cm3/molecule-sec Half-Life = 0.199 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.385 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0012 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2.587E+004 Log Koc: 4.413 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 = 1.760 (BCF = 57.53) log Kow used: 3.19 (estimated) Volatilization from Water: Henry LC: 6.55E-008 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.256E+004 hours (523.2 days) Half-Life from Model Lake : 1.371E+005 hours (5712 days) Removal In Wastewater Treatment: Total removal: 7.67 percent Total biodegradation: 0.14 percent Total sludge adsorption: 7.53 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 0.326 4.77 1000 Water 22.6 360 1000 Soil 76.6 720 1000 Sediment 0.541 3.24e+003 0 Persistence Time: 525 hr
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