Try beta.chemspider
- 1 of 1 defined stereocentres
(2R)-1,1-Diphenyl-2-propanamine
C[C@H](C(c1ccccc1)c2ccccc2)N
InChI=1S/C15H17N/c1-12(16)15(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-12,15H,16H2,1H3/t12-/m1/s1
XNKICCFGYSXSAI-GFCCVEGCSA-N
CSID:17206619, http://www.chemspider.com/Chemical-Structure.17206619.html (accessed 16:47, May 21, 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) = 3.10 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 320.45 (Adapted Stein & Brown method) Melting Pt (deg C): 82.60 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.000184 (Modified Grain method) Subcooled liquid VP: 0.000654 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): 883.4 log Kow used: 3.10 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 52.83 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 8.70E-008 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 5.791E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.10 (KowWin est) Log Kaw used: -5.449 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 8.549 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.1116 Biowin2 (Non-Linear Model) : 0.9950 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7258 (weeks-months) Biowin4 (Primary Survey Model) : 3.5274 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1389 Biowin6 (MITI Non-Linear Model): 0.0776 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.1686 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): 0.0872 Pa (0.000654 mm Hg) Log Koa (Koawin est ): 8.549 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.44E-005 Octanol/air (Koa) model: 8.69E-005 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00124 Mackay model : 0.00274 Octanol/air (Koa) model: 0.0069 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 54.9970 E-12 cm3/molecule-sec Half-Life = 0.194 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.334 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.00199 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 4.366E+004 Log Koc: 4.640 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 = 1.684 (BCF = 48.34) log Kow used: 3.10 (estimated) Volatilization from Water: Henry LC: 8.7E-008 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 9784 hours (407.7 days) Half-Life from Model Lake : 1.069E+005 hours (4452 days) Removal In Wastewater Treatment: Total removal: 6.64 percent Total biodegradation: 0.13 percent Total sludge adsorption: 6.50 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 0.155 4.67 1000 Water 17.6 900 1000 Soil 81.7 1.8e+003 1000 Sediment 0.502 8.1e+003 0 Persistence Time: 1.15e+003 hr
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