Try beta.chemspider
2-Cyclohexyl-4-methylphenol
Cc1ccc(c(c1)C2CCCCC2)O
InChI=1S/C13H18O/c1-10-7-8-13(14)12(9-10)11-5-3-2-4-6-11/h7-9,11,14H,2-6H2,1H3
GTLMTHAWEBRMGI-UHFFFAOYSA-N
CSID:66745, http://www.chemspider.com/Chemical-Structure.66745.html (accessed 18:34, May 16, 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) = 4.88 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 303.02 (Adapted Stein & Brown method) Melting Pt (deg C): 82.56 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.000155 (Modified Grain method) Subcooled liquid VP: 0.00055 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): 12.74 log Kow used: 4.88 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 113.5 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Phenols Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.24E-006 atm-m3/mole Group Method: 5.23E-007 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 3.046E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.88 (KowWin est) Log Kaw used: -4.295 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 9.175 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8821 Biowin2 (Non-Linear Model) : 0.9145 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.6853 (weeks-months) Biowin4 (Primary Survey Model) : 3.4758 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3653 Biowin6 (MITI Non-Linear Model): 0.4094 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.4227 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): 0.0733 Pa (0.00055 mm Hg) Log Koa (Koawin est ): 9.175 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 4.09E-005 Octanol/air (Koa) model: 0.000367 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00148 Mackay model : 0.00326 Octanol/air (Koa) model: 0.0285 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 59.4395 E-12 cm3/molecule-sec Half-Life = 0.180 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.159 Hrs Ozone Reaction: No Ozone Reaction Estimation Reaction With Nitrate Radicals May Be Important! Fraction sorbed to airborne particulates (phi): 0.00237 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.674E+004 Log Koc: 4.224 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 = 3.055 (BCF = 1136) log Kow used: 4.88 (estimated) Volatilization from Water: Henry LC: 5.23E-007 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 1546 hours (64.4 days) Half-Life from Model Lake : 1.698E+004 hours (707.4 days) Removal In Wastewater Treatment: Total removal: 73.54 percent Total biodegradation: 0.65 percent Total sludge adsorption: 72.89 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 0.139 4.32 1000 Water 12.6 900 1000 Soil 65.2 1.8e+003 1000 Sediment 22.1 8.1e+003 0 Persistence Time: 1.36e+003 hr
Click to predict properties on the Chemicalize site
Advertisement
Spotlight