Try beta.chemspider
1,3-Cyclohexanediyldimethanamine
C1CC(CC(C1)CN)CN
InChI=1S/C8H18N2/c9-5-7-2-1-3-8(4-7)6-10/h7-8H,1-6,9-10H2
QLBRROYTTDFLDX-UHFFFAOYSA-N
CSID:16469, http://www.chemspider.com/Chemical-Structure.16469.html (accessed 14:42, 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) = 1.07 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 233.40 (Adapted Stein & Brown method) Melting Pt (deg C): 40.55 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.131 (Mean VP of Antoine & Grain methods) MP (exp database): <-70 deg C BP (exp database): 220 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 1.02e+005 log Kow used: 1.07 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 7.5692e+005 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.50E-009 atm-m3/mole Group Method: 2.34E-010 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 2.404E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.07 (KowWin est) Log Kaw used: -6.991 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 8.061 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.9875 Biowin2 (Non-Linear Model) : 0.9612 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.9337 (weeks ) Biowin4 (Primary Survey Model) : 3.7291 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5582 Biowin6 (MITI Non-Linear Model): 0.3535 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.8415 Ready Biodegradability Prediction: YES Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 16.3 Pa (0.122 mm Hg) Log Koa (Koawin est ): 8.061 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.84E-007 Octanol/air (Koa) model: 2.82E-005 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 6.66E-006 Mackay model : 1.48E-005 Octanol/air (Koa) model: 0.00225 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 76.2404 E-12 cm3/molecule-sec Half-Life = 0.140 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.684 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 1.07E-005 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 914.6 Log Koc: 2.961 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 = 0.123 (BCF = 1.327) log Kow used: 1.07 (estimated) Volatilization from Water: Henry LC: 2.34E-010 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 2.984E+006 hours (1.243E+005 days) Half-Life from Model Lake : 3.255E+007 hours (1.356E+006 days) Removal In Wastewater Treatment: Total removal: 1.89 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.80 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 0.00514 3.37 1000 Water 34.1 360 1000 Soil 65.8 720 1000 Sediment 0.0693 3.24e+003 0 Persistence Time: 609 hr
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