N-Cyclohexyl-N'-isopropylcarbodiimide
CC(C)N=C=NC1CCCCC1
InChI=1S/C10H18N2/c1-9(2)11-8-12-10-6-4-3-5-7-10/h9-10H,3-7H2,1-2H3
KIQLXXNKZOFPDE-UHFFFAOYSA-N
CSID:133183, http://www.chemspider.com/Chemical-Structure.133183.html (accessed 21:59, Mar 28, 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) = 5.47 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 215.58 (Adapted Stein & Brown method) Melting Pt (deg C): -29.80 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.164 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 1.359 log Kow used: 5.47 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 11.605 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.02E-003 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.640E-002 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.47 (KowWin est) Log Kaw used: -1.380 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 6.850 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6684 Biowin2 (Non-Linear Model) : 0.6565 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8317 (weeks ) Biowin4 (Primary Survey Model) : 3.6079 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2787 Biowin6 (MITI Non-Linear Model): 0.2172 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.0495 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): 20.3 Pa (0.152 mm Hg) Log Koa (Koawin est ): 6.850 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.48E-007 Octanol/air (Koa) model: 1.74E-006 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 5.35E-006 Mackay model : 1.18E-005 Octanol/air (Koa) model: 0.000139 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 12.2748 E-12 cm3/molecule-sec Half-Life = 0.871 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 10.457 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 8.59E-006 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 5022 Log Koc: 3.701 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 = 3.514 (BCF = 3263) log Kow used: 5.47 (estimated) Volatilization from Water: Henry LC: 0.00102 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.056 hours Half-Life from Model Lake : 130.5 hours (5.44 days) Removal In Wastewater Treatment: Total removal: 88.58 percent Total biodegradation: 0.71 percent Total sludge adsorption: 85.30 percent Total to Air: 2.57 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 1.67 20.9 1000 Water 10.4 360 1000 Soil 56.9 720 1000 Sediment 31 3.24e+003 0 Persistence Time: 608 hr
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