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Hexakis(methylene)cyclohexane
C=C1C(=C)C(=C)C(=C)C(=C)C1=C
InChI=1S/C12H12/c1-7-8(2)10(4)12(6)11(5)9(7)3/h1-6H2
PXLYGWXKAVCTPX-UHFFFAOYSA-N
Date of deprecation: 13:33, Feb 22, 2024 Reason for deprecation: Deprecate record: Testing Bad record 2
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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) = 5.64 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 190.54 (Adapted Stein & Brown method) Melting Pt (deg C): 21.57 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.809 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 0.3148 log Kow used: 5.64 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 2.4104 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 9.91E-002 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 5.283E-001 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.64 (KowWin est) Log Kaw used: 0.608 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 5.032 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6732 Biowin2 (Non-Linear Model) : 0.6879 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8539 (weeks ) Biowin4 (Primary Survey Model) : 3.6223 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3216 Biowin6 (MITI Non-Linear Model): 0.1622 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.0462 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 0.4101 BioHC Half-Life (days) : 2.5710 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 98.8 Pa (0.741 mm Hg) Log Koa (Koawin est ): 5.032 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.04E-008 Octanol/air (Koa) model: 2.64E-008 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.1E-006 Mackay model : 2.43E-006 Octanol/air (Koa) model: 2.11E-006 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 222.3747 E-12 cm3/molecule-sec Half-Life = 0.048 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.577 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 2.430000 E-17 cm3/molecule-sec Half-Life = 0.472 Days (at 7E11 mol/cm3) Half-Life = 11.319 Hrs Fraction sorbed to airborne particulates (phi): 1.76E-006 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 3380 Log Koc: 3.529 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 = 3.644 (BCF = 4401) log Kow used: 5.64 (estimated) Volatilization from Water: Henry LC: 0.0991 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.283 hours Half-Life from Model Lake : 118.8 hours (4.95 days) Removal In Wastewater Treatment (recommended maximum 95%): Total removal: 97.87 percent Total biodegradation: 0.29 percent Total sludge adsorption: 63.40 percent Total to Air: 34.19 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.116 1.05 1000 Water 9.42 360 1000 Soil 51.8 720 1000 Sediment 38.6 3.24e+003 0 Persistence Time: 609 hr
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