Try beta.chemspider
Mesityl(oxo)phosphine
O=Pc1c(cc(cc1C)C)C
InChI=1S/C9H11OP/c1-6-4-7(2)9(11-10)8(3)5-6/h4-5H,1-3H3
AZLBIQYSDUYTDJ-UHFFFAOYSA-N
CSID:9224536, http://www.chemspider.com/Chemical-Structure.9224536.html (accessed 00:18, Jul 6, 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) = 1.21 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 256.69 (Adapted Stein & Brown method) Melting Pt (deg C): 42.30 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.0131 (Modified Grain method) Subcooled liquid VP: 0.0189 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): 5925 log Kow used: 1.21 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 88963 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 7.45E-006 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 4.834E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.21 (KowWin est) Log Kaw used: -3.516 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 4.726 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8325 Biowin2 (Non-Linear Model) : 0.9153 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.6074 (weeks-months) Biowin4 (Primary Survey Model) : 3.4024 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3586 Biowin6 (MITI Non-Linear Model): 0.2480 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.4701 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): 2.52 Pa (0.0189 mm Hg) Log Koa (Koawin est ): 4.726 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.19E-006 Octanol/air (Koa) model: 1.31E-008 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 4.3E-005 Mackay model : 9.52E-005 Octanol/air (Koa) model: 1.04E-006 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 35.0993 E-12 cm3/molecule-sec Half-Life = 0.305 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.657 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 6.91E-005 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 10 Log Koc: 1.000 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 = 0.232 (BCF = 1.708) log Kow used: 1.21 (estimated) Volatilization from Water: Henry LC: 7.45E-006 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 102.6 hours (4.276 days) Half-Life from Model Lake : 1228 hours (51.15 days) Removal In Wastewater Treatment: Total removal: 2.32 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.81 percent Total to Air: 0.42 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.663 7.31 1000 Water 46.8 900 1000 Soil 52.4 1.8e+003 1000 Sediment 0.104 8.1e+003 0 Persistence Time: 579 hr
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