Try beta.chemspider
1,4-Bis(1-phenyl-2-propanyl)piperazine
CC(Cc1ccccc1)N2CCN(CC2)C(C)Cc3ccccc3
InChI=1S/C22H30N2/c1-19(17-21-9-5-3-6-10-21)23-13-15-24(16-14-23)20(2)18-22-11-7-4-8-12-22/h3-12,19-20H,13-18H2,1-2H3
VIYHGODXJCNFCQ-UHFFFAOYSA-N
CSID:85154, http://www.chemspider.com/Chemical-Structure.85154.html (accessed 01:54, 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) = 4.41 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 408.35 (Adapted Stein & Brown method) Melting Pt (deg C): 154.41 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.48E-007 (Modified Grain method) Subcooled liquid VP: 5.21E-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): 15.76 log Kow used: 4.41 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 14.154 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.15E-010 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 6.677E-009 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.41 (KowWin est) Log Kaw used: -8.056 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 12.466 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5490 Biowin2 (Non-Linear Model) : 0.2203 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.8712 (months ) Biowin4 (Primary Survey Model) : 2.6792 (weeks-months) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.4678 Biowin6 (MITI Non-Linear Model): 0.0012 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -3.0460 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): 0.000695 Pa (5.21E-006 mm Hg) Log Koa (Koawin est ): 12.466 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00432 Octanol/air (Koa) model: 0.718 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.135 Mackay model : 0.257 Octanol/air (Koa) model: 0.983 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 231.4418 E-12 cm3/molecule-sec Half-Life = 0.046 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.555 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.196 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.289E+006 Log Koc: 6.110 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 = 2.697 (BCF = 497.3) log Kow used: 4.41 (estimated) Volatilization from Water: Henry LC: 2.15E-010 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 4.89E+006 hours (2.038E+005 days) Half-Life from Model Lake : 5.335E+007 hours (2.223E+006 days) Removal In Wastewater Treatment: Total removal: 51.22 percent Total biodegradation: 0.49 percent Total sludge adsorption: 50.73 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 0.0011 1.11 1000 Water 8.03 1.44e+003 1000 Soil 85.6 2.88e+003 1000 Sediment 6.42 1.3e+004 0 Persistence Time: 2.97e+003 hr
Click to predict properties on the Chemicalize site
Advertisement
Spotlight