Try beta.chemspider
1-(4,5-Diphenyl-1H-imidazol-1-yl)-3-(1,2,3,4-tetrahydro-9H-carbazol-9-yl)-2-propanol
c1ccc(cc1)c2c(n(cn2)CC(Cn3c4ccccc4c5c3CCCC5)O)c6ccccc6
InChI=1S/C30H29N3O/c34-24(20-33-27-17-9-7-15-25(27)26-16-8-10-18-28(26)33)19-32-21-31-29(22-11-3-1-4-12-22)30(32)23-13-5-2-6-14-23/h1-7,9,11-15,17,21,24,34H,8,10,16,18-20H2
FICWYDDDYLTDOG-UHFFFAOYSA-N
CSID:2151629, http://www.chemspider.com/Chemical-Structure.2151629.html (accessed 05:17, Jun 13, 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) = 7.31 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 685.90 (Adapted Stein & Brown method) Melting Pt (deg C): 299.44 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.32E-019 (Modified Grain method) Subcooled liquid VP: 2.68E-016 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): 0.0008794 log Kow used: 7.31 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.001509 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Imidazoles Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 7.39E-015 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.554E-016 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 7.31 (KowWin est) Log Kaw used: -12.520 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 19.830 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.0587 Biowin2 (Non-Linear Model) : 0.9258 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.2644 (weeks-months) Biowin4 (Primary Survey Model) : 3.2042 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.3588 Biowin6 (MITI Non-Linear Model): 0.0014 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.6237 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): 3.57E-014 Pa (2.68E-016 mm Hg) Log Koa (Koawin est ): 19.830 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 8.4E+007 Octanol/air (Koa) model: 1.66E+007 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1 Mackay model : 1 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 242.9818 E-12 cm3/molecule-sec Half-Life = 0.044 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.528 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 1 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.17E+007 Log Koc: 7.068 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 = 3.733 (BCF = 5405) log Kow used: 7.31 (estimated) Volatilization from Water: Henry LC: 7.39E-015 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.676E+011 hours (6.984E+009 days) Half-Life from Model Lake : 1.828E+012 hours (7.619E+010 days) Removal In Wastewater Treatment: Total removal: 93.94 percent Total biodegradation: 0.78 percent Total sludge adsorption: 93.16 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 0.0155 1.06 1000 Water 2.01 900 1000 Soil 29.1 1.8e+003 1000 Sediment 68.9 8.1e+003 0 Persistence Time: 3.09e+003 hr
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