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4-Chloro-N,N-dicyclohexylbenzamide
c1cc(ccc1C(=O)N(C2CCCCC2)C3CCCCC3)Cl
InChI=1S/C19H26ClNO/c20-16-13-11-15(12-14-16)19(22)21(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h11-14,17-18H,1-10H2
BMQOLGWVHWPNTP-UHFFFAOYSA-N
CSID:1634798, http://www.chemspider.com/Chemical-Structure.1634798.html (accessed 16:02, May 21, 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) = 5.91 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 422.09 (Adapted Stein & Brown method) Melting Pt (deg C): 156.78 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.08E-007 (Modified Grain method) Subcooled liquid VP: 2.4E-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): 0.08382 log Kow used: 5.91 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.44395 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.61E-008 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 5.423E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.91 (KowWin est) Log Kaw used: -5.972 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 11.882 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6230 Biowin2 (Non-Linear Model) : 0.2978 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.2315 (months ) Biowin4 (Primary Survey Model) : 3.4263 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1483 Biowin6 (MITI Non-Linear Model): 0.0306 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.6370 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): 0.00032 Pa (2.4E-006 mm Hg) Log Koa (Koawin est ): 11.882 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00937 Octanol/air (Koa) model: 0.187 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.253 Mackay model : 0.429 Octanol/air (Koa) model: 0.937 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 54.4481 E-12 cm3/molecule-sec Half-Life = 0.196 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.357 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.341 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 3144 Log Koc: 3.498 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 = 3.852 (BCF = 7117) log Kow used: 5.91 (estimated) Volatilization from Water: Henry LC: 2.61E-008 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 4.012E+004 hours (1672 days) Half-Life from Model Lake : 4.378E+005 hours (1.824E+004 days) Removal In Wastewater Treatment: Total removal: 91.73 percent Total biodegradation: 0.77 percent Total sludge adsorption: 90.96 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 0.0348 4.71 1000 Water 3.06 1.44e+003 1000 Soil 43.9 2.88e+003 1000 Sediment 53 1.3e+004 0 Persistence Time: 4.09e+003 hr
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