Try beta.chemspider
Cyclohexyl(2,3-dimethylphenyl)methanol
Cc1cccc(c1C)C(C2CCCCC2)O
InChI=1S/C15H22O/c1-11-7-6-10-14(12(11)2)15(16)13-8-4-3-5-9-13/h6-7,10,13,15-16H,3-5,8-9H2,1-2H3
GUPPQAKVFDZJLO-UHFFFAOYSA-N
CSID:508518, http://www.chemspider.com/Chemical-Structure.508518.html (accessed 23:46, Jul 2, 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) = 4.86 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 327.86 (Adapted Stein & Brown method) Melting Pt (deg C): 84.04 (Mean or Weighted MP) VP(mm Hg,25 deg C): 6.06E-006 (Modified Grain method) Subcooled liquid VP: 2.23E-005 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): 8.081 log Kow used: 4.86 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 38.88 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Benzyl Alcohols Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 6.39E-007 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.154E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.86 (KowWin est) Log Kaw used: -4.583 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 9.443 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.9117 Biowin2 (Non-Linear Model) : 0.8985 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7269 (weeks-months) Biowin4 (Primary Survey Model) : 3.5251 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4326 Biowin6 (MITI Non-Linear Model): 0.3815 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.5885 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): 0.00297 Pa (2.23E-005 mm Hg) Log Koa (Koawin est ): 9.443 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00101 Octanol/air (Koa) model: 0.000681 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0352 Mackay model : 0.0747 Octanol/air (Koa) model: 0.0516 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 34.2431 E-12 cm3/molecule-sec Half-Life = 0.312 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.748 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0549 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1576 Log Koc: 3.198 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 = 2.390 (BCF = 245.5) log Kow used: 4.86 (estimated) Volatilization from Water: Henry LC: 6.39E-007 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1355 hours (56.47 days) Half-Life from Model Lake : 1.491E+004 hours (621.2 days) Removal In Wastewater Treatment: Total removal: 72.78 percent Total biodegradation: 0.64 percent Total sludge adsorption: 72.13 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 0.226 7.5 1000 Water 12.6 900 1000 Soil 66 1.8e+003 1000 Sediment 21.2 8.1e+003 0 Persistence Time: 1.37e+003 hr
Click to predict properties on the Chemicalize site
Advertisement
Spotlight