Try beta.chemspider
- Double-bond stereo
4-[(E)-(4-Chlorophenyl)diazenyl]-N-[3-(1-piperidinyl)propyl]-5,6,7,8-tetrahydro-1-naphthalenamine
c1cc(ccc1/N=N/c2ccc(c3c2CCCC3)NCCCN4CCCCC4)Cl
InChI=1S/C24H31ClN4/c25-19-9-11-20(12-10-19)27-28-24-14-13-23(21-7-2-3-8-22(21)24)26-15-6-18-29-16-4-1-5-17-29/h9-14,26H,1-8,15-18H2/b28-27+
CSHZDAXDYRNRJU-BYYHNAKLSA-N
CSID:171192, http://www.chemspider.com/Chemical-Structure.171192.html (accessed 03:26, 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) = 7.90 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 508.77 (Adapted Stein & Brown method) Melting Pt (deg C): 216.70 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.49E-010 (Modified Grain method) Subcooled liquid VP: 1.65E-008 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): 0.001769 log Kow used: 7.90 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.032053 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 7.21E-012 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 4.555E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 7.90 (KowWin est) Log Kaw used: -9.531 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 17.431 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.2020 Biowin2 (Non-Linear Model) : 0.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.2445 (recalcitrant) Biowin4 (Primary Survey Model) : 2.5032 (weeks-months) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.5685 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -2.4971 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): 2.2E-006 Pa (1.65E-008 mm Hg) Log Koa (Koawin est ): 17.431 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.36 Octanol/air (Koa) model: 6.62E+004 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.98 Mackay model : 0.991 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 171.2309 E-12 cm3/molecule-sec Half-Life = 0.062 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.750 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.986 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 8.348E+005 Log Koc: 5.922 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 = 1.000 (BCF = 10) log Kow used: 7.90 (estimated) Volatilization from Water: Henry LC: 7.21E-012 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.646E+008 hours (6.859E+006 days) Half-Life from Model Lake : 1.796E+009 hours (7.483E+007 days) Removal In Wastewater Treatment: Total removal: 94.01 percent Total biodegradation: 0.78 percent Total sludge adsorption: 93.23 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 0.000472 1.5 1000 Water 0.607 4.32e+003 1000 Soil 51.8 8.64e+003 1000 Sediment 47.6 3.89e+004 0 Persistence Time: 1.45e+004 hr
Click to predict properties on the Chemicalize site
Advertisement
Spotlight