Try beta.chemspider
- 2 of 2 defined stereocentres
(2S,2'S)-2,2'-(2,2-Propanediyl)ditetrahydrofuran
CC(C)([C@@H]1CCCO1)[C@@H]2CCCO2
InChI=1S/C11H20O2/c1-11(2,9-5-3-7-12-9)10-6-4-8-13-10/h9-10H,3-8H2,1-2H3/t9-,10-/m0/s1
FZLHAQMQWDDWFI-UWVGGRQHSA-N
CSID:2342960, http://www.chemspider.com/Chemical-Structure.2342960.html (accessed 03:23, Apr 25, 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) = 2.75 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 229.52 (Adapted Stein & Brown method) Melting Pt (deg C): 19.14 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.123 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 236.4 log Kow used: 2.75 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 6337.8 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.38E-006 atm-m3/mole Group Method: 4.77E-007 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 1.262E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.75 (KowWin est) Log Kaw used: -4.012 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 6.762 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.2188 Biowin2 (Non-Linear Model) : 0.0003 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.5625 (weeks-months) Biowin4 (Primary Survey Model) : 3.4089 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3785 Biowin6 (MITI Non-Linear Model): 0.1962 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.8130 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): 15.6 Pa (0.117 mm Hg) Log Koa (Koawin est ): 6.762 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.92E-007 Octanol/air (Koa) model: 1.42E-006 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 6.95E-006 Mackay model : 1.54E-005 Octanol/air (Koa) model: 0.000114 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 39.1766 E-12 cm3/molecule-sec Half-Life = 0.273 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.276 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 1.12E-005 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 24.95 Log Koc: 1.397 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 = 1.415 (BCF = 26.03) log Kow used: 2.75 (estimated) Volatilization from Water: Henry LC: 2.38E-006 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 335.3 hours (13.97 days) Half-Life from Model Lake : 3772 hours (157.2 days) Removal In Wastewater Treatment: Total removal: 4.17 percent Total biodegradation: 0.11 percent Total sludge adsorption: 3.93 percent Total to Air: 0.13 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.301 6.55 1000 Water 20.9 900 1000 Soil 78.5 1.8e+003 1000 Sediment 0.279 8.1e+003 0 Persistence Time: 979 hr
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