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3-Isopropenyl-1,2-dimethylcyclopentanol
CC1C(CCC1(C)O)C(=C)C
InChI=1S/C10H18O/c1-7(2)9-5-6-10(4,11)8(9)3/h8-9,11H,1,5-6H2,2-4H3
ZRVPDCMGGOSDKG-UHFFFAOYSA-N
CSID:18886, http://www.chemspider.com/Chemical-Structure.18886.html (accessed 22:36, Apr 25, 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) = 3.34 Log Kow (Exper. database match) = 2.87 Exper. Ref: Li,J & Perdue,EM (1995) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 202.81 (Adapted Stein & Brown method) Melting Pt (deg C): 2.74 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.0622 (Mean VP of Antoine & Grain methods) VP (exp database): 1.35E-01 mm Hg at 24 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 832.3 log Kow used: 2.87 (expkow database) no-melting pt equation used Water Sol (Exper. database match) = 1480 mg/L (23 deg C) Exper. Ref: LI,J & PERDUE,EM (1995) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 861.66 mg/L Wat Sol (Exper. database match) = 1480.00 Exper. Ref: LI,J & PERDUE,EM (1995) ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.34E-005 atm-m3/mole Group Method: Incomplete Exper Database: 1.85E-05 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 1.517E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.87 (exp database) Log Kaw used: -3.121 (exp database) Log Koa (KOAWIN v1.10 estimate): 5.991 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.4902 Biowin2 (Non-Linear Model) : 0.2880 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.6462 (weeks-months) Biowin4 (Primary Survey Model) : 3.4717 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3988 Biowin6 (MITI Non-Linear Model): 0.2316 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.0450 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 18 Pa (0.135 mm Hg) Log Koa (Koawin est ): 5.991 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.67E-007 Octanol/air (Koa) model: 2.4E-007 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 6.02E-006 Mackay model : 1.33E-005 Octanol/air (Koa) model: 1.92E-005 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 63.7400 E-12 cm3/molecule-sec Half-Life = 0.168 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.014 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 1.200000 E-17 cm3/molecule-sec Half-Life = 0.955 Days (at 7E11 mol/cm3) Half-Life = 22.920 Hrs Fraction sorbed to airborne particulates (phi): 9.68E-006 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 54.42 Log Koc: 1.736 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 = 1.510 (BCF = 32.35) log Kow used: 2.87 (expkow database) Volatilization from Water: Henry LC: 1.85E-005 atm-m3/mole (Henry experimental database) Half-Life from Model River: 40.57 hours (1.691 days) Half-Life from Model Lake : 546.8 hours (22.78 days) Removal In Wastewater Treatment: Total removal: 5.68 percent Total biodegradation: 0.11 percent Total sludge adsorption: 4.58 percent Total to Air: 0.99 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.186 3.43 1000 Water 19.3 900 1000 Soil 80.2 1.8e+003 1000 Sediment 0.33 8.1e+003 0 Persistence Time: 957 hr
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