Try beta.chemspider
- Double-bond stereo
(2Z,6Z,10Z)-3,7,11,15,15-Pentamethylbicyclo[12.1.0]pentadeca-2,6,10-triene
C/C/1=C/CC/C(=C\C2C(C2(C)C)CC/C(=C\CC1)/C)/C
InChI=1S/C20H32/c1-15-8-6-10-16(2)12-13-18-19(20(18,4)5)14-17(3)11-7-9-15/h9-10,14,18-19H,6-8,11-13H2,1-5H3/b15-9-,16-10-,17-14-
ZJMVJDFTNPZVMB-IRPDBTCFSA-N
CSID:15060710, http://www.chemspider.com/Chemical-Structure.15060710.html (accessed 14:42, May 21, 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) = 9.20 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 339.89 (Adapted Stein & Brown method) Melting Pt (deg C): 95.25 (Mean or Weighted MP) VP(mm Hg,25 deg C): 9.7E-005 (Modified Grain method) Subcooled liquid VP: 0.000465 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): 7.086e-005 log Kow used: 9.20 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.018671 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.49E+000 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 4.908E-001 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 9.20 (KowWin est) Log Kaw used: 2.154 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 7.046 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.4339 Biowin2 (Non-Linear Model) : 0.0702 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.3849 (weeks-months) Biowin4 (Primary Survey Model) : 3.3012 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1330 Biowin6 (MITI Non-Linear Model): 0.0266 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.7578 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 1.8287 BioHC Half-Life (days) : 67.4056 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 0.062 Pa (0.000465 mm Hg) Log Koa (Koawin est ): 7.046 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 4.84E-005 Octanol/air (Koa) model: 2.73E-006 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00174 Mackay model : 0.00386 Octanol/air (Koa) model: 0.000218 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 268.7306 E-12 cm3/molecule-sec Half-Life = 0.040 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 28.657 Min Ozone Reaction: OVERALL Ozone Rate Constant = 129.000000 E-17 cm3/molecule-sec Half-Life = 0.009 Days (at 7E11 mol/cm3) Half-Life = 12.793 Min Reaction With Nitrate Radicals May Be Important! Fraction sorbed to airborne particulates (phi): 0.0028 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 4.229E+005 Log Koc: 5.626 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 = 1.790 (BCF = 61.71) log Kow used: 9.20 (estimated) Volatilization from Water: Henry LC: 3.49 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.685 hours Half-Life from Model Lake : 156.8 hours (6.533 days) Removal In Wastewater Treatment: Total removal: 94.27 percent Total biodegradation: 0.76 percent Total sludge adsorption: 91.94 percent Total to Air: 1.57 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.00271 0.174 1000 Water 1.91 900 1000 Soil 27.9 1.8e+003 1000 Sediment 70.2 8.1e+003 0 Persistence Time: 3.09e+003 hr
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