Try beta.chemspider
Methyl(diphenyl)phosphine sulfide
CP(=S)(c1ccccc1)c2ccccc2
InChI=1S/C13H13PS/c1-14(15,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11H,1H3
JFBNAFBCBMDKNJ-UHFFFAOYSA-N
CSID:535414, http://www.chemspider.com/Chemical-Structure.535414.html (accessed 02:53, Jul 2, 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) = 3.65 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 328.19 (Adapted Stein & Brown method) Melting Pt (deg C): 3.77 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.000431 (Modified Grain method) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 22.79 log Kow used: 3.65 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 54.053 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 9.50E-006 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 5.780E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.65 (KowWin est) Log Kaw used: -3.411 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 7.061 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8931 Biowin2 (Non-Linear Model) : 0.9647 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7299 (weeks-months) Biowin4 (Primary Survey Model) : 3.5224 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1037 Biowin6 (MITI Non-Linear Model): 0.0493 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.2386 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): 0.0575 Pa (0.000431 mm Hg) Log Koa (Koawin est ): 7.061 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 5.22E-005 Octanol/air (Koa) model: 2.82E-006 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00188 Mackay model : 0.00416 Octanol/air (Koa) model: 0.000226 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 57.0357 E-12 cm3/molecule-sec Half-Life = 0.188 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.250 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.00302 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1563 Log Koc: 3.194 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 = 2.107 (BCF = 128) log Kow used: 3.65 (estimated) Volatilization from Water: Henry LC: 9.5E-006 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 95.48 hours (3.978 days) Half-Life from Model Lake : 1169 hours (48.73 days) Removal In Wastewater Treatment: Total removal: 17.32 percent Total biodegradation: 0.21 percent Total sludge adsorption: 16.66 percent Total to Air: 0.44 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.203 4.5 1000 Water 17.2 900 1000 Soil 80.8 1.8e+003 1000 Sediment 1.78 8.1e+003 0 Persistence Time: 1.05e+003 hr
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