3-Isopropylidene-6-methylcyclohexene
CC1CCC(=C(C)C)C=C1
InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,6,9H,5,7H2,1-3H3
CIPXOBMYVWRNLL-UHFFFAOYSA-N
CSID:92519, http://www.chemspider.com/Chemical-Structure.92519.html (accessed 17:55, Apr 19, 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) = 4.75 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 173.90 (Adapted Stein & Brown method) Melting Pt (deg C): -39.14 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.75 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 2.218 log Kow used: 4.75 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 59.034 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.65E-001 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.414E-001 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.75 (KowWin est) Log Kaw used: 1.174 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 3.576 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) : 0.3723 Biowin6 (MITI Non-Linear Model): 0.2792 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.2497 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 0.3906 BioHC Half-Life (days) : 2.4581 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 213 Pa (1.6 mm Hg) Log Koa (Koawin est ): 3.576 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.41E-008 Octanol/air (Koa) model: 9.25E-010 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 5.08E-007 Mackay model : 1.12E-006 Octanol/air (Koa) model: 7.4E-008 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 265.3874 E-12 cm3/molecule-sec Half-Life = 0.040 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 29.018 Min Ozone Reaction: OVERALL Ozone Rate Constant = 1000.000000 E-17 cm3/molecule-sec Half-Life = 0.001 Days (at 7E11 mol/cm3) Half-Life = 1.650 Min Reaction With Nitrate Radicals May Be Important! Fraction sorbed to airborne particulates (phi): 8.16E-007 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1324 Log Koc: 3.122 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 = 2.957 (BCF = 905) log Kow used: 4.75 (estimated) Volatilization from Water: Henry LC: 0.365 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.193 hours Half-Life from Model Lake : 110.9 hours (4.62 days) Removal In Wastewater Treatment (recommended maximum 95%): Total removal: 99.51 percent Total biodegradation: 0.13 percent Total sludge adsorption: 41.79 percent Total to Air: 57.59 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.0145 0.0267 1000 Water 31.5 360 1000 Soil 47.6 720 1000 Sediment 20.9 3.24e+003 0 Persistence Time: 193 hr
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