Try beta.chemspider
(1-Isopropyl-4-piperidinyl)methanol
CC(C)N1CCC(CC1)CO
InChI=1S/C9H19NO/c1-8(2)10-5-3-9(7-11)4-6-10/h8-9,11H,3-7H2,1-2H3
FLKOJXQVRBGEES-UHFFFAOYSA-N
CSID:9322963, http://www.chemspider.com/Chemical-Structure.9322963.html (accessed 10:26, May 13, 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) = 1.26 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 238.82 (Adapted Stein & Brown method) Melting Pt (deg C): 34.58 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.00518 (Modified Grain method) Subcooled liquid VP: 0.00631 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): 6.01e+004 log Kow used: 1.26 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 2.8278e+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 : 3.22E-009 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.783E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.26 (KowWin est) Log Kaw used: -6.881 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 8.141 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6261 Biowin2 (Non-Linear Model) : 0.4184 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7568 (weeks ) Biowin4 (Primary Survey Model) : 3.4623 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4115 Biowin6 (MITI Non-Linear Model): 0.3397 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.8456 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): 0.841 Pa (0.00631 mm Hg) Log Koa (Koawin est ): 8.141 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.57E-006 Octanol/air (Koa) model: 3.4E-005 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.000129 Mackay model : 0.000285 Octanol/air (Koa) model: 0.00271 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 116.3417 E-12 cm3/molecule-sec Half-Life = 0.092 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.103 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.000207 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 32.8 Log Koc: 1.516 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 = 0.271 (BCF = 1.866) log Kow used: 1.26 (estimated) Volatilization from Water: Henry LC: 3.22E-009 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.28E+005 hours (9501 days) Half-Life from Model Lake : 2.488E+006 hours (1.036E+005 days) Removal In Wastewater Treatment: Total removal: 1.92 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.83 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 0.0557 2.21 1000 Water 33.8 360 1000 Soil 66.1 720 1000 Sediment 0.0725 3.24e+003 0 Persistence Time: 554 hr
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