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(2E)-2-(Cyclohexylphosphinidene)-3,3-dimethyl-1-phenyl-1-butanol
P(=C(/C(O)c1ccccc1)C(C)(C)C)\C2CCCCC2
InChI=1S/C18H27OP/c1-18(2,3)17(20-15-12-8-5-9-13-15)16(19)14-10-6-4-7-11-14/h4,6-7,10-11,15-16,19H,5,8-9,12-13H2,1-3H3
WRGGCFLEAGHCSO-UHFFFAOYSA-N
CSID:9567050, http://www.chemspider.com/Chemical-Structure.9567050.html (accessed 20:06, Jun 1, 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) = 6.64 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 371.60 (Adapted Stein & Brown method) Melting Pt (deg C): 109.16 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.86E-007 (Modified Grain method) Subcooled liquid VP: 1.25E-006 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): 0.09562 log Kow used: 6.64 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1.4842 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Benzyl Alcohols Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.57E-007 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 7.432E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.64 (KowWin est) Log Kaw used: -4.836 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 11.476 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7122 Biowin2 (Non-Linear Model) : 0.5197 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.5273 (weeks-months) Biowin4 (Primary Survey Model) : 3.4097 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2206 Biowin6 (MITI Non-Linear Model): 0.0773 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.3906 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): 0.000167 Pa (1.25E-006 mm Hg) Log Koa (Koawin est ): 11.476 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.018 Octanol/air (Koa) model: 0.0735 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.394 Mackay model : 0.59 Octanol/air (Koa) model: 0.855 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 23.6198 E-12 cm3/molecule-sec Half-Life = 0.453 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 5.434 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.492 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.4E+004 Log Koc: 4.146 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 = 3.766 (BCF = 5838) log Kow used: 6.64 (estimated) Volatilization from Water: Henry LC: 3.57E-007 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2796 hours (116.5 days) Half-Life from Model Lake : 3.065E+004 hours (1277 days) Removal In Wastewater Treatment: Total removal: 93.60 percent Total biodegradation: 0.78 percent Total sludge adsorption: 92.82 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 0.119 10.9 1000 Water 2.37 900 1000 Soil 32.7 1.8e+003 1000 Sediment 64.8 8.1e+003 0 Persistence Time: 3.09e+003 hr
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