Try beta.chemspider
1-(Dimethylamino)-6,8,8-trimethyl-4-nonanol
CC(CC(CCCN(C)C)O)CC(C)(C)C
InChI=1S/C14H31NO/c1-12(11-14(2,3)4)10-13(16)8-7-9-15(5)6/h12-13,16H,7-11H2,1-6H3
JYASHYCLIUFILK-UHFFFAOYSA-N
CSID:192253, http://www.chemspider.com/Chemical-Structure.192253.html (accessed 10:00, May 10, 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) = 3.72 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 280.09 (Adapted Stein & Brown method) Melting Pt (deg C): 44.99 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.000315 (Modified Grain method) Subcooled liquid VP: 0.00048 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): 208.7 log Kow used: 3.72 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 847.76 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.01E-008 atm-m3/mole Group Method: 1.34E-007 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 4.556E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.72 (KowWin est) Log Kaw used: -5.910 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 9.630 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.4079 Biowin2 (Non-Linear Model) : 0.0441 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.3853 (weeks-months) Biowin4 (Primary Survey Model) : 3.2048 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3218 Biowin6 (MITI Non-Linear Model): 0.1871 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.1194 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): 0.064 Pa (0.00048 mm Hg) Log Koa (Koawin est ): 9.630 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 4.69E-005 Octanol/air (Koa) model: 0.00105 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00169 Mackay model : 0.00374 Octanol/air (Koa) model: 0.0773 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 98.8826 E-12 cm3/molecule-sec Half-Life = 0.108 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.298 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.00271 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 364.9 Log Koc: 2.562 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 = 2.163 (BCF = 145.4) log Kow used: 3.72 (estimated) Volatilization from Water: Henry LC: 1.34E-007 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 6619 hours (275.8 days) Half-Life from Model Lake : 7.234E+004 hours (3014 days) Removal In Wastewater Treatment: Total removal: 19.09 percent Total biodegradation: 0.23 percent Total sludge adsorption: 18.85 percent Total to Air: 0.01 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.101 2.6 1000 Water 17 900 1000 Soil 80.8 1.8e+003 1000 Sediment 2.08 8.1e+003 0 Persistence Time: 1.12e+003 hr
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