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1-Cyclohexyl-2-methylbenzene
Cc1ccccc1C2CCCCC2
InChI=1S/C13H18/c1-11-7-5-6-10-13(11)12-8-3-2-4-9-12/h5-7,10,12H,2-4,8-9H2,1H3
PCMIWASLPQNSCD-UHFFFAOYSA-N
CSID:521573, http://www.chemspider.com/Chemical-Structure.521573.html (accessed 22:28, Apr 24, 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) = 5.36 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 255.42 (Adapted Stein & Brown method) Melting Pt (deg C): 22.45 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.0204 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 1.561 log Kow used: 5.36 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 3.6572 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.19E-002 atm-m3/mole Group Method: 4.25E-003 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 2.997E-003 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.36 (KowWin est) Log Kaw used: -0.313 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 5.673 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7739 Biowin2 (Non-Linear Model) : 0.8440 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.6643 (weeks-months) Biowin4 (Primary Survey Model) : 3.4592 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3568 Biowin6 (MITI Non-Linear Model): 0.4322 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.5988 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 1.6596 BioHC Half-Life (days) : 45.6649 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 2.68 Pa (0.0201 mm Hg) Log Koa (Koawin est ): 5.673 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.12E-006 Octanol/air (Koa) model: 1.16E-007 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 4.04E-005 Mackay model : 8.95E-005 Octanol/air (Koa) model: 9.25E-006 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 16.2617 E-12 cm3/molecule-sec Half-Life = 0.658 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 7.893 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 6.5E-005 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.033E+004 Log Koc: 4.014 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 = 3.425 (BCF = 2661) log Kow used: 5.36 (estimated) Volatilization from Water: Henry LC: 0.00425 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 1.529 hours Half-Life from Model Lake : 127.4 hours (5.307 days) Removal In Wastewater Treatment: Total removal: 89.33 percent Total biodegradation: 0.60 percent Total sludge adsorption: 78.36 percent Total to Air: 10.37 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.705 15.8 1000 Water 5.88 900 1000 Soil 64.8 1.8e+003 1000 Sediment 28.6 8.1e+003 0 Persistence Time: 1.31e+003 hr
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