N-Cyclohexylcyclohexanamine
C1CCC(CC1)NC2CCCCC2
InChI=1S/C12H23N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h11-13H,1-10H2
XBPCUCUWBYBCDP-UHFFFAOYSA-N
CSID:7301, http://www.chemspider.com/Chemical-Structure.7301.html (accessed 05:01, Jun 3, 2023)
Validated by Experts, Validated by Users, Non-Validated, Removed by Users
Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module
Predicted data is generated using the US Environmental Protection Agency�s EPISuite
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 4.37 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 256.50 (Adapted Stein & Brown method) Melting Pt (deg C): 27.68 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.02 (Mean VP of Antoine & Grain methods) MP (exp database): -0.1 deg C BP (exp database): 255.8 deg C VP (exp database): 3.38E-02 mm Hg at 25 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 103.1 log Kow used: 4.37 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1896.6 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 5.50E-005 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 4.628E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.37 (KowWin est) Log Kaw used: -2.648 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 7.018 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8151 Biowin2 (Non-Linear Model) : 0.8240 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8229 (weeks ) Biowin4 (Primary Survey Model) : 3.6294 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4281 Biowin6 (MITI Non-Linear Model): 0.2917 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.1079 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): 4.51 Pa (0.0338 mm Hg) Log Koa (Koawin est ): 7.018 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 6.66E-007 Octanol/air (Koa) model: 2.56E-006 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 2.4E-005 Mackay model : 5.33E-005 Octanol/air (Koa) model: 0.000205 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 131.7220 E-12 cm3/molecule-sec Half-Life = 0.081 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.974 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 3.86E-005 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 256.3 Log Koc: 2.409 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 = 2.662 (BCF = 459.5) log Kow used: 4.37 (estimated) Volatilization from Water: Henry LC: 5.5E-005 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 15.71 hours Half-Life from Model Lake : 284.3 hours (11.84 days) Removal In Wastewater Treatment: Total removal: 50.04 percent Total biodegradation: 0.46 percent Total sludge adsorption: 48.18 percent Total to Air: 1.40 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.219 1.95 1000 Water 20.6 360 1000 Soil 73.3 720 1000 Sediment 5.9 3.24e+003 0 Persistence Time: 471 hr
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