Try beta.chemspider
- 3 of 3 defined stereocentres
(3beta)-13-Methylpodocarpa-8,11,13-triene-3,12-diol
Cc1c(cc2c(c1)CC[C@@H]3[C@@]2(CC[C@@H]([C@]3(C)C)O)C)O
InChI=1S/C18H26O2/c1-11-9-12-5-6-15-17(2,3)16(20)7-8-18(15,4)13(12)10-14(11)19/h9-10,15-16,19-20H,5-8H2,1-4H3/t15-,16-,18+/m0/s1
ULORBDMEFAYHRJ-XYJFISCASA-N
CSID:10187354, http://www.chemspider.com/Chemical-Structure.10187354.html (accessed 07:37, May 16, 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) = 4.83 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 387.37 (Adapted Stein & Brown method) Melting Pt (deg C): 152.34 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.18E-008 (Modified Grain method) Subcooled liquid VP: 4.33E-007 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): 15.87 log Kow used: 4.83 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 47.455 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Phenols Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 6.86E-011 atm-m3/mole Group Method: 5.23E-012 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 4.960E-010 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.83 (KowWin est) Log Kaw used: -8.552 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 13.382 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6329 Biowin2 (Non-Linear Model) : 0.2398 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.2352 (months ) Biowin4 (Primary Survey Model) : 3.1770 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3439 Biowin6 (MITI Non-Linear Model): 0.1021 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.8232 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): 5.77E-005 Pa (4.33E-007 mm Hg) Log Koa (Koawin est ): 13.382 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.052 Octanol/air (Koa) model: 5.92 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.652 Mackay model : 0.806 Octanol/air (Koa) model: 0.998 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 129.8464 E-12 cm3/molecule-sec Half-Life = 0.082 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.988 Hrs Ozone Reaction: No Ozone Reaction Estimation Reaction With Nitrate Radicals May Be Important! Fraction sorbed to airborne particulates (phi): 0.729 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.072E+004 Log Koc: 4.030 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 = 3.020 (BCF = 1048) log Kow used: 4.83 (estimated) Volatilization from Water: Henry LC: 5.23E-012 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 1.854E+008 hours (7.727E+006 days) Half-Life from Model Lake : 2.023E+009 hours (8.429E+007 days) Removal In Wastewater Treatment: Total removal: 71.60 percent Total biodegradation: 0.64 percent Total sludge adsorption: 70.96 percent Total to Air: 0.00 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 7.01e-005 1.98 1000 Water 6.77 1.44e+003 1000 Soil 79 2.88e+003 1000 Sediment 14.2 1.3e+004 0 Persistence Time: 3.32e+003 hr
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