Try beta.chemspider
O,O,S,S-Tetraethyl dithiodiphosphate
CCOP(=O)(OCC)OP(=O)(SCC)SCC
InChI=1S/C8H20O5P2S2/c1-5-11-14(9,12-6-2)13-15(10,16-7-3)17-8-4/h5-8H2,1-4H3
BSXWQKSOVJQYJV-UHFFFAOYSA-N
CSID:19955367, http://www.chemspider.com/Chemical-Structure.19955367.html (accessed 01:59, Apr 27, 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) = 1.74 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 398.45 (Adapted Stein & Brown method) Melting Pt (deg C): 86.00 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.36E-006 (Modified Grain method) Subcooled liquid VP: 9.06E-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): 298.5 log Kow used: 1.74 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1.2172e+005 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 : 6.74E-011 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.353E-009 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.74 (KowWin est) Log Kaw used: -8.560 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 10.300 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.2220 Biowin2 (Non-Linear Model) : 1.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7944 (weeks ) Biowin4 (Primary Survey Model) : 4.3134 (hours-days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2620 Biowin6 (MITI Non-Linear Model): 0.0617 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 1.6758 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): 0.00121 Pa (9.06E-006 mm Hg) Log Koa (Koawin est ): 10.300 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00248 Octanol/air (Koa) model: 0.0049 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0823 Mackay model : 0.166 Octanol/air (Koa) model: 0.282 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 77.2571 E-12 cm3/molecule-sec Half-Life = 0.138 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.661 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.124 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1421 Log Koc: 3.152 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 = -0.143 (BCF = 0.7195) log Kow used: 1.74 (estimated) Volatilization from Water: Henry LC: 6.74E-011 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.56E+007 hours (6.498E+005 days) Half-Life from Model Lake : 1.701E+008 hours (7.089E+006 days) Removal In Wastewater Treatment: Total removal: 2.07 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.97 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 0.00148 3.32 1000 Water 26 360 1000 Soil 73.9 720 1000 Sediment 0.0721 3.24e+003 0 Persistence Time: 678 hr
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