Adamantane
C1C2CC3CC1CC(C2)C3
InChI=1S/C10H16/c1-7-2-9-4-8(1)5-10(3-7)6-9/h7-10H,1-6H2
ORILYTVJVMAKLC-UHFFFAOYSA-N
CSID:8883, http://www.chemspider.com/Chemical-Structure.8883.html (accessed 05:48, Apr 16, 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) = 3.94 Log Kow (Exper. database match) = 4.24 Exper. Ref: Sangster (1994) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 171.25 (Adapted Stein & Brown method) Melting Pt (deg C): -19.15 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.0225 (Modified Grain method) MP (exp database): 205 deg C Subcooled liquid VP: 1.8 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): 6.033 log Kow used: 4.24 (expkow database) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.60692 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.54E-001 atm-m3/mole Group Method: 2.13E-002 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 6.686E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.24 (exp database) Log Kaw used: 0.799 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 3.441 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6827 Biowin2 (Non-Linear Model) : 0.7454 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8981 (weeks ) Biowin4 (Primary Survey Model) : 3.6512 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4750 Biowin6 (MITI Non-Linear Model): 0.3761 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.2738 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 1.7129 BioHC Half-Life (days) : 51.6328 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 240 Pa (1.8 mm Hg) Log Koa (Koawin est ): 3.441 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.25E-008 Octanol/air (Koa) model: 6.78E-010 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 4.51E-007 Mackay model : 1E-006 Octanol/air (Koa) model: 5.42E-008 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 22.9186 E-12 cm3/molecule-sec Half-Life = 0.467 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 5.600 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 7.26E-007 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1692 Log Koc: 3.228 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 = 2.565 (BCF = 367.1) log Kow used: 4.24 (expkow database) Volatilization from Water: Henry LC: 0.154 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.196 hours Half-Life from Model Lake : 110.9 hours (4.621 days) Removal In Wastewater Treatment (recommended maximum 95%): Total removal: 98.67 percent Total biodegradation: 0.09 percent Total sludge adsorption: 24.92 percent Total to Air: 73.65 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 6.69 11.4 1000 Water 38.9 360 1000 Soil 46 720 1000 Sediment 8.38 3.24e+003 0 Persistence Time: 157 hr
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