Try beta.chemspider
6-Undecanylcyclohexane
CCCCCC(CCCCC)C1CCCCC1
InChI=1S/C17H34/c1-3-5-8-12-16(13-9-6-4-2)17-14-10-7-11-15-17/h16-17H,3-15H2,1-2H3
YMKWMZMMPATDJO-UHFFFAOYSA-N
CSID:457334, http://www.chemspider.com/Chemical-Structure.457334.html (accessed 09:37, 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) = 8.43 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 290.26 (Adapted Stein & Brown method) Melting Pt (deg C): 28.20 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.00548 (Modified Grain method) Subcooled liquid VP: 0.00585 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): 0.0005019 log Kow used: 8.43 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.00029883 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 5.76E+000 atm-m3/mole Group Method: 1.25E+001 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 3.426E+000 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 8.43 (KowWin est) Log Kaw used: 2.372 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 6.058 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8509 Biowin2 (Non-Linear Model) : 0.9648 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.2689 (days-weeks ) Biowin4 (Primary Survey Model) : 4.0418 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4593 Biowin6 (MITI Non-Linear Model): 0.5174 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.4771 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 1.5893 BioHC Half-Life (days) : 38.8379 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 0.78 Pa (0.00585 mm Hg) Log Koa (Koawin est ): 6.058 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.85E-006 Octanol/air (Koa) model: 2.81E-007 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.000139 Mackay model : 0.000308 Octanol/air (Koa) model: 2.24E-005 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 25.3959 E-12 cm3/molecule-sec Half-Life = 0.421 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 5.054 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.000223 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.201E+005 Log Koc: 5.080 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 = 1.350 (BCF = 22.38) log Kow used: 8.43 (estimated) Volatilization from Water: Henry LC: 5.76 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.576 hours Half-Life from Model Lake : 146.7 hours (6.111 days) Removal In Wastewater Treatment (recommended maximum 95%): Total removal: 95.73 percent Total biodegradation: 0.61 percent Total sludge adsorption: 83.76 percent Total to Air: 11.36 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.637 10.1 1000 Water 5.7 208 1000 Soil 29.7 416 1000 Sediment 64 1.87e+003 0 Persistence Time: 670 hr
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