(4-Propylcyclohexyl)benzene
CCCC1CCC(CC1)c2ccccc2
InChI=1S/C15H22/c1-2-6-13-9-11-15(12-10-13)14-7-4-3-5-8-14/h3-5,7-8,13,15H,2,6,9-12H2,1H3
PWGUTKLGUISGAE-UHFFFAOYSA-N
CSID:10701262, http://www.chemspider.com/Chemical-Structure.10701262.html (accessed 04:17, Apr 20, 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) = 6.21 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 283.54 (Adapted Stein & Brown method) Melting Pt (deg C): 24.38 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.00466 (Modified Grain method) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 0.2118 log Kow used: 6.21 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.36336 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.53E-002 atm-m3/mole Group Method: 1.34E-002 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 5.858E-003 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.21 (KowWin est) Log Kaw used: 0.015 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 6.195 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8340 Biowin2 (Non-Linear Model) : 0.9250 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.6992 (weeks-months) Biowin4 (Primary Survey Model) : 3.4922 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3321 Biowin6 (MITI Non-Linear Model): 0.3192 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.0276 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 1.6390 BioHC Half-Life (days) : 43.5534 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 0.621 Pa (0.00466 mm Hg) Log Koa (Koawin est ): 6.195 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 4.83E-006 Octanol/air (Koa) model: 3.85E-007 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.000174 Mackay model : 0.000386 Octanol/air (Koa) model: 3.08E-005 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 19.5524 E-12 cm3/molecule-sec Half-Life = 0.547 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 6.565 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.00028 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 3.608E+004 Log Koc: 4.557 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 = 4.081 (BCF = 1.206e+004) log Kow used: 6.21 (estimated) Volatilization from Water: Henry LC: 0.0134 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 1.514 hours Half-Life from Model Lake : 135.8 hours (5.658 days) Removal In Wastewater Treatment: Total removal: 93.80 percent Total biodegradation: 0.69 percent Total sludge adsorption: 87.76 percent Total to Air: 5.34 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.299 13.1 1000 Water 3.03 900 1000 Soil 38.8 1.8e+003 1000 Sediment 57.9 8.1e+003 0 Persistence Time: 2.21e+003 hr
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