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N-Cyclohexyl-5,6-dihydro-4H-1,3-thiazin-2-amine
C1CCC(CC1)NC2=NCCCS2
InChI=1S/C10H18N2S/c1-2-5-9(6-3-1)12-10-11-7-4-8-13-10/h9H,1-8H2,(H,11,12)
QOUZDUIPGBMLCY-UHFFFAOYSA-N
CSID:1765387, http://www.chemspider.com/Chemical-Structure.1765387.html (accessed 03:57, Apr 27, 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) = 3.89 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 300.00 (Adapted Stein & Brown method) Melting Pt (deg C): 86.94 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.000496 (Modified Grain method) Subcooled liquid VP: 0.00195 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): 21.08 log Kow used: 3.89 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 2992 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.24E-008 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 6.140E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.89 (KowWin est) Log Kaw used: -6.295 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 10.185 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6531 Biowin2 (Non-Linear Model) : 0.5480 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7609 (weeks ) Biowin4 (Primary Survey Model) : 3.5616 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2924 Biowin6 (MITI Non-Linear Model): 0.1920 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.0846 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): 0.26 Pa (0.00195 mm Hg) Log Koa (Koawin est ): 10.185 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.15E-005 Octanol/air (Koa) model: 0.00376 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.000417 Mackay model : 0.000922 Octanol/air (Koa) model: 0.231 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 110.5836 E-12 cm3/molecule-sec Half-Life = 0.097 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.161 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.000669 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1278 Log Koc: 3.107 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 = 2.299 (BCF = 198.9) log Kow used: 3.89 (estimated) Volatilization from Water: Henry LC: 1.24E-008 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 6.65E+004 hours (2771 days) Half-Life from Model Lake : 7.255E+005 hours (3.023E+004 days) Removal In Wastewater Treatment: Total removal: 25.31 percent Total biodegradation: 0.28 percent Total sludge adsorption: 25.02 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 0.109 2.32 1000 Water 19.7 360 1000 Soil 78.2 720 1000 Sediment 1.98 3.24e+003 0 Persistence Time: 598 hr
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