Try beta.chemspider
- Double-bond stereo
9-Ethyl-3-{(E)-[ethyl(phenyl)hydrazono]methyl}-9H-carbazole
N(/N(c1ccccc1)CC)=C\c4cc3c2ccccc2n(c3cc4)CC
InChI=1S/C23H23N3/c1-3-25-22-13-9-8-12-20(22)21-16-18(14-15-23(21)25)17-24-26(4-2)19-10-6-5-7-11-19/h5-17H,3-4H2,1-2H3/b24-17+
IPCPWEQNRXADBE-JJIBRWJFSA-N
CSID:7882495, http://www.chemspider.com/Chemical-Structure.7882495.html (accessed 22:01, Apr 25, 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) = 6.58 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 471.74 (Adapted Stein & Brown method) Melting Pt (deg C): 194.21 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.35E-009 (Modified Grain method) Subcooled liquid VP: 1.41E-007 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): 0.001312 log Kow used: 6.58 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.017421 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Hydrazines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.07E-008 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 8.047E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.58 (KowWin est) Log Kaw used: -6.072 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 12.652 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5078 Biowin2 (Non-Linear Model) : 0.0942 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.2118 (months ) Biowin4 (Primary Survey Model) : 3.0720 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.2000 Biowin6 (MITI Non-Linear Model): 0.0038 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.2398 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): 1.88E-005 Pa (1.41E-007 mm Hg) Log Koa (Koawin est ): 12.652 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.16 Octanol/air (Koa) model: 1.1 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.852 Mackay model : 0.927 Octanol/air (Koa) model: 0.989 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 219.6470 E-12 cm3/molecule-sec Half-Life = 0.049 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.584 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.89 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2.576E+006 Log Koc: 6.411 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 = 4.363 (BCF = 2.307e+004) log Kow used: 6.58 (estimated) Volatilization from Water: Henry LC: 2.07E-008 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 5.227E+004 hours (2178 days) Half-Life from Model Lake : 5.703E+005 hours (2.376E+004 days) Removal In Wastewater Treatment: Total removal: 93.54 percent Total biodegradation: 0.78 percent Total sludge adsorption: 92.76 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 0.0116 1.17 1000 Water 1.84 1.44e+003 1000 Soil 32.8 2.88e+003 1000 Sediment 65.3 1.3e+004 0 Persistence Time: 4.46e+003 hr
Click to predict properties on the Chemicalize site
Advertisement
Spotlight