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- Double-bond stereo
(E)-N-Hydroxy-1-(2,6,6-trimethyl-1-cyclohexen-1-yl)methanimine
CC1=C(C(CCC1)(C)C)C=NO
InChI=1S/C10H17NO/c1-8-5-4-6-10(2,3)9(8)7-11-12/h7,12H,4-6H2,1-3H3/b11-7+
GCYCNVPGTDQJEP-YRNVUSSQSA-N
CSID:9248950, http://www.chemspider.com/Chemical-Structure.9248950.html (accessed 04:27, Jul 4, 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) = 3.40 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 273.92 (Adapted Stein & Brown method) Melting Pt (deg C): 45.47 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.000461 (Modified Grain method) Subcooled liquid VP: 0.000708 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): 79.61 log Kow used: 3.40 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 106.26 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.06E-005 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.274E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.40 (KowWin est) Log Kaw used: -2.903 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 6.303 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.4840 Biowin2 (Non-Linear Model) : 0.2517 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.6174 (weeks-months) Biowin4 (Primary Survey Model) : 3.4530 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2919 Biowin6 (MITI Non-Linear Model): 0.2252 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.2628 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): 0.0944 Pa (0.000708 mm Hg) Log Koa (Koawin est ): 6.303 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.18E-005 Octanol/air (Koa) model: 4.93E-007 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00115 Mackay model : 0.00254 Octanol/air (Koa) model: 3.95E-005 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 116.3855 E-12 cm3/molecule-sec Half-Life = 0.092 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.103 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 88.724998 E-17 cm3/molecule-sec Half-Life = 0.013 Days (at 7E11 mol/cm3) Half-Life = 18.599 Min Fraction sorbed to airborne particulates (phi): 0.00184 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1913 Log Koc: 3.282 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 = 1.915 (BCF = 82.31) log Kow used: 3.40 (estimated) Volatilization from Water: Henry LC: 3.06E-005 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 26.06 hours (1.086 days) Half-Life from Model Lake : 392.8 hours (16.37 days) Removal In Wastewater Treatment: Total removal: 12.35 percent Total biodegradation: 0.16 percent Total sludge adsorption: 10.70 percent Total to Air: 1.49 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.015 0.272 1000 Water 16.6 900 1000 Soil 82.5 1.8e+003 1000 Sediment 0.947 8.1e+003 0 Persistence Time: 1.01e+003 hr
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