Phenyl dipentylphosphinate
CCCCCP(=O)(CCCCC)Oc1ccccc1
InChI=1S/C16H27O2P/c1-3-5-10-14-19(17,15-11-6-4-2)18-16-12-8-7-9-13-16/h7-9,12-13H,3-6,10-11,14-15H2,1-2H3
TUJWIYZCAPMHSA-UHFFFAOYSA-N
CSID:133911, http://www.chemspider.com/Chemical-Structure.133911.html (accessed 08:23, Mar 29, 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) = 5.13 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 364.89 (Adapted Stein & Brown method) Melting Pt (deg C): 87.20 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.47E-005 (Modified Grain method) Subcooled liquid VP: 5.84E-005 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): 0.6497 log Kow used: 5.13 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 17.653 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Esters (phosphate) Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.23E-005 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 8.406E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.13 (KowWin est) Log Kaw used: -3.040 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 8.170 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.9581 Biowin2 (Non-Linear Model) : 0.9889 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.1939 (weeks ) Biowin4 (Primary Survey Model) : 3.9834 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3093 Biowin6 (MITI Non-Linear Model): 0.1750 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.0096 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): 0.00779 Pa (5.84E-005 mm Hg) Log Koa (Koawin est ): 8.170 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000385 Octanol/air (Koa) model: 3.63E-005 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0137 Mackay model : 0.0299 Octanol/air (Koa) model: 0.0029 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 14.1961 E-12 cm3/molecule-sec Half-Life = 0.753 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 9.041 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0218 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 433.4 Log Koc: 2.637 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 = 2.248 (BCF = 176.9) log Kow used: 5.13 (estimated) Volatilization from Water: Henry LC: 2.23E-005 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 45.83 hours (1.91 days) Half-Life from Model Lake : 640.9 hours (26.7 days) Removal In Wastewater Treatment: Total removal: 81.48 percent Total biodegradation: 0.70 percent Total sludge adsorption: 80.61 percent Total to Air: 0.17 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 1.19 18.1 1000 Water 16.2 360 1000 Soil 58.3 720 1000 Sediment 24.4 3.24e+003 0 Persistence Time: 601 hr
Click to predict properties on the Chemicalize site
Advertisement
Spotlight