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2-[Ethyl(isopropyl)phosphoryl]-2-propanol
O=P(C(C)C)(C(O)(C)C)CC
InChI=1S/C8H19O2P/c1-6-11(10,7(2)3)8(4,5)9/h7,9H,6H2,1-5H3
VPEWVBFERFQUSR-UHFFFAOYSA-N
CSID:9063744, http://www.chemspider.com/Chemical-Structure.9063744.html (accessed 19:56, Jun 14, 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) = 0.96 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 237.58 (Adapted Stein & Brown method) Melting Pt (deg C): 6.85 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.0072 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 2.764e+004 log Kow used: 0.96 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1e+006 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.73E-009 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 6.108E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 0.96 (KowWin est) Log Kaw used: -6.714 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 7.674 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.4788 Biowin2 (Non-Linear Model) : 0.2235 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.5932 (weeks-months) Biowin4 (Primary Survey Model) : 3.4372 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2504 Biowin6 (MITI Non-Linear Model): 0.1427 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.0359 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): 0.908 Pa (0.00681 mm Hg) Log Koa (Koawin est ): 7.674 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.3E-006 Octanol/air (Koa) model: 1.16E-005 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.000119 Mackay model : 0.000264 Octanol/air (Koa) model: 0.000926 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 4.5494 E-12 cm3/molecule-sec Half-Life = 2.351 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 28.213 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.000192 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 28.4 Log Koc: 1.453 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 = 0.500 (BCF = 3.162) log Kow used: 0.96 (estimated) Volatilization from Water: Henry LC: 4.73E-009 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.652E+005 hours (6885 days) Half-Life from Model Lake : 1.803E+006 hours (7.511E+004 days) Removal In Wastewater Treatment: Total removal: 1.88 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.79 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 0.0607 56.4 1000 Water 41.3 900 1000 Soil 58.6 1.8e+003 1000 Sediment 0.0864 8.1e+003 0 Persistence Time: 1.03e+003 hr
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