Try beta.chemspider
2-(2,2,3-Trimethyl-3-cyclopenten-1-yl)ethanol
CC1=CCC(C1(C)C)CCO
InChI=1S/C10H18O/c1-8-4-5-9(6-7-11)10(8,2)3/h4,9,11H,5-7H2,1-3H3
NPGPPCSBEMHHCR-UHFFFAOYSA-N
CSID:55223, http://www.chemspider.com/Chemical-Structure.55223.html (accessed 12:56, 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) = 3.33 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 230.97 (Adapted Stein & Brown method) Melting Pt (deg C): 27.58 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.00968 (Modified Grain method) Subcooled liquid VP: 0.0102 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): 335.7 log Kow used: 3.33 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 683.8 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.58E-005 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 5.852E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.33 (KowWin est) Log Kaw used: -3.190 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 6.520 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6489 Biowin2 (Non-Linear Model) : 0.5530 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8061 (weeks ) Biowin4 (Primary Survey Model) : 3.6012 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.6204 Biowin6 (MITI Non-Linear Model): 0.6291 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.2938 Ready Biodegradability Prediction: YES Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 1.36 Pa (0.0102 mm Hg) Log Koa (Koawin est ): 6.520 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.21E-006 Octanol/air (Koa) model: 8.13E-007 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 7.97E-005 Mackay model : 0.000176 Octanol/air (Koa) model: 6.5E-005 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 95.9902 E-12 cm3/molecule-sec Half-Life = 0.111 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.337 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 7.393750 E-17 cm3/molecule-sec Half-Life = 0.155 Days (at 7E11 mol/cm3) Half-Life = 3.720 Hrs Fraction sorbed to airborne particulates (phi): 0.000128 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 64.39 Log Koc: 1.809 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 = 1.865 (BCF = 73.36) log Kow used: 3.33 (estimated) Volatilization from Water: Henry LC: 1.58E-005 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 47.29 hours (1.97 days) Half-Life from Model Lake : 620 hours (25.83 days) Removal In Wastewater Treatment: Total removal: 10.46 percent Total biodegradation: 0.16 percent Total sludge adsorption: 9.51 percent Total to Air: 0.80 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.17 1.56 1000 Water 24.1 360 1000 Soil 75 720 1000 Sediment 0.761 3.24e+003 0 Persistence Time: 454 hr
Click to predict properties on the Chemicalize site
Advertisement
Spotlight