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N,N-Diisobutyl-3,3-diphenylpropanamide
CC(C)CN(CC(C)C)C(=O)CC(c1ccccc1)c2ccccc2
InChI=1S/C23H31NO/c1-18(2)16-24(17-19(3)4)23(25)15-22(20-11-7-5-8-12-20)21-13-9-6-10-14-21/h5-14,18-19,22H,15-17H2,1-4H3
JUYBKAHZZSEVQR-UHFFFAOYSA-N
CSID:1029017, http://www.chemspider.com/Chemical-Structure.1029017.html (accessed 00:39, May 22, 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) = 5.63 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 433.03 (Adapted Stein & Brown method) Melting Pt (deg C): 158.79 (Mean or Weighted MP) VP(mm Hg,25 deg C): 5.5E-008 (Modified Grain method) Subcooled liquid VP: 1.29E-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): 0.1142 log Kow used: 5.63 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.037927 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.55E-009 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.139E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.63 (KowWin est) Log Kaw used: -6.982 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 12.612 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.1079 Biowin2 (Non-Linear Model) : 0.9938 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.3683 (weeks-months) Biowin4 (Primary Survey Model) : 3.5075 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.0443 Biowin6 (MITI Non-Linear Model): 0.0241 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.9031 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): 0.000172 Pa (1.29E-006 mm Hg) Log Koa (Koawin est ): 12.612 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0174 Octanol/air (Koa) model: 1 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.387 Mackay model : 0.583 Octanol/air (Koa) model: 0.988 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 47.5413 E-12 cm3/molecule-sec Half-Life = 0.225 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.700 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.485 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 8.473E+005 Log Koc: 5.928 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 = 3.637 (BCF = 4332) log Kow used: 5.63 (estimated) Volatilization from Water: Henry LC: 2.55E-009 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 4.218E+005 hours (1.758E+004 days) Half-Life from Model Lake : 4.602E+006 hours (1.917E+005 days) Removal In Wastewater Treatment: Total removal: 89.71 percent Total biodegradation: 0.75 percent Total sludge adsorption: 88.96 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 0.0175 5.4 1000 Water 5 900 1000 Soil 54.3 1.8e+003 1000 Sediment 40.7 8.1e+003 0 Persistence Time: 2.74e+003 hr
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