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N-Cyclohexyldicarbonimidic diamide
C1CCC(CC1)NC(=O)NC(=O)N
InChI=1S/C8H15N3O2/c9-7(12)11-8(13)10-6-4-2-1-3-5-6/h6H,1-5H2,(H4,9,10,11,12,13)
XWASRFJIGLFAAZ-UHFFFAOYSA-N
CSID:222191, http://www.chemspider.com/Chemical-Structure.222191.html (accessed 17:06, Jul 6, 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) = 1.34 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 396.42 (Adapted Stein & Brown method) Melting Pt (deg C): 164.22 (Mean or Weighted MP) VP(mm Hg,25 deg C): 3.75E-007 (Modified Grain method) Subcooled liquid VP: 1.02E-005 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): 3747 log Kow used: 1.34 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 435.58 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Imides Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 8.08E-013 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.439E-011 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.34 (KowWin est) Log Kaw used: -10.481 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 11.821 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6594 Biowin2 (Non-Linear Model) : 0.5935 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7898 (weeks ) Biowin4 (Primary Survey Model) : 3.5805 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2722 Biowin6 (MITI Non-Linear Model): 0.1457 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.2755 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): 0.00136 Pa (1.02E-005 mm Hg) Log Koa (Koawin est ): 11.821 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00221 Octanol/air (Koa) model: 0.163 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0738 Mackay model : 0.15 Octanol/air (Koa) model: 0.929 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 22.0988 E-12 cm3/molecule-sec Half-Life = 0.484 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 5.808 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.112 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 17.54 Log Koc: 1.244 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 = 0.329 (BCF = 2.134) log Kow used: 1.34 (estimated) Volatilization from Water: Henry LC: 8.08E-013 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 9.862E+008 hours (4.109E+007 days) Half-Life from Model Lake : 1.076E+010 hours (4.483E+008 days) Removal In Wastewater Treatment: Total removal: 1.93 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.84 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 1.91e-005 11.6 1000 Water 31.1 360 1000 Soil 68.8 720 1000 Sediment 0.0687 3.24e+003 0 Persistence Time: 636 hr
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