Try beta.chemspider
(6,6-Dimethylbicyclo[3.1.1]hept-2-en-2-yl)methyl formate
CC1(C2CC=C(C1C2)COC=O)C
InChI=1S/C11H16O2/c1-11(2)9-4-3-8(6-13-7-12)10(11)5-9/h3,7,9-10H,4-6H2,1-2H3
QHPJGDWWLWJMPM-UHFFFAOYSA-N
CSID:4934572, http://www.chemspider.com/Chemical-Structure.4934572.html (accessed 09:34, Apr 24, 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) = 3.26 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 225.05 (Adapted Stein & Brown method) Melting Pt (deg C): 33.35 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.0797 (Modified Grain method) Subcooled liquid VP: 0.0946 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): 89.95 log Kow used: 3.26 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 75.164 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 6.20E-004 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.101E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.26 (KowWin est) Log Kaw used: -1.596 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 4.856 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6520 Biowin2 (Non-Linear Model) : 0.9430 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7289 (weeks-months) Biowin4 (Primary Survey Model) : 3.6632 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.7080 Biowin6 (MITI Non-Linear Model): 0.7065 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.3059 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): 12.6 Pa (0.0946 mm Hg) Log Koa (Koawin est ): 4.856 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.38E-007 Octanol/air (Koa) model: 1.76E-008 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 8.59E-006 Mackay model : 1.9E-005 Octanol/air (Koa) model: 1.41E-006 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 92.1061 E-12 cm3/molecule-sec Half-Life = 0.116 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.394 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 43.000000 E-17 cm3/molecule-sec Half-Life = 0.027 Days (at 7E11 mol/cm3) Half-Life = 38.378 Min Reaction With Nitrate Radicals May Be Important! Fraction sorbed to airborne particulates (phi): 1.38E-005 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 388.6 Log Koc: 2.589 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 4.253E+001 L/mol-sec Kb Half-Life at pH 8: 4.527 hours Kb Half-Life at pH 7: 1.886 days Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 1.812 (BCF = 64.81) log Kow used: 3.26 (estimated) Volatilization from Water: Henry LC: 0.00062 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.638 hours Half-Life from Model Lake : 141.4 hours (5.89 days) Removal In Wastewater Treatment: Total removal: 27.34 percent Total biodegradation: 0.12 percent Total sludge adsorption: 7.58 percent Total to Air: 19.64 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.0615 0.52 1000 Water 13.4 900 1000 Soil 86 1.8e+003 1000 Sediment 0.551 8.1e+003 0 Persistence Time: 717 hr
Click to predict properties on the Chemicalize site
Advertisement
Spotlight