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- 4 of 4 defined stereocentres
Cedr-8(15)-ene
C[C@@H]1CC[C@@H]2[C@]13CCC(=C)[C@H](C3)C2(C)C
InChI=1S/C15H24/c1-10-7-8-15-9-12(10)14(3,4)13(15)6-5-11(15)2/h11-13H,1,5-9H2,2-4H3/t11-,12+,13+,15+/m1/s1
DYLPEFGBWGEFBB-OSFYFWSMSA-N
CSID:9281621, http://www.chemspider.com/Chemical-Structure.9281621.html (accessed 18:19, 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) = 6.51 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 229.04 (Adapted Stein & Brown method) Melting Pt (deg C): 41.79 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.0841 (Modified Grain method) Subcooled liquid VP: 0.119 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): 0.03316 log Kow used: 6.51 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.012451 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.86E-001 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 6.853E-001 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.51 (KowWin est) Log Kaw used: 1.198 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 5.312 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.2819 Biowin2 (Non-Linear Model) : 0.0338 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.3211 (weeks-months) Biowin4 (Primary Survey Model) : 3.2446 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3822 Biowin6 (MITI Non-Linear Model): 0.2176 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.6131 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 3.5463 BioHC Half-Life (days) : 3518.1130 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 15.9 Pa (0.119 mm Hg) Log Koa (Koawin est ): 5.312 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.89E-007 Octanol/air (Koa) model: 5.04E-008 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 6.83E-006 Mackay model : 1.51E-005 Octanol/air (Koa) model: 4.03E-006 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 65.3181 E-12 cm3/molecule-sec Half-Life = 0.164 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.965 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): 1.1E-005 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2.17E+004 Log Koc: 4.336 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 = 4.309 (BCF = 2.039e+004) log Kow used: 6.51 (estimated) Volatilization from Water: Henry LC: 0.386 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.465 hours Half-Life from Model Lake : 136.1 hours (5.673 days) Removal In Wastewater Treatment (recommended maximum 95%): Total removal: 97.94 percent Total biodegradation: 0.36 percent Total sludge adsorption: 69.88 percent Total to Air: 27.70 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.0799 3.36 1000 Water 2.62 900 1000 Soil 31.4 1.8e+003 1000 Sediment 65.9 8.1e+003 0 Persistence Time: 2.44e+003 hr
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