Try beta.chemspider
3,6,9,12,15-Pentaoxatricosan-1-ol
CCCCCCCCOCCOCCOCCOCCOCCO
InChI=1S/C18H38O6/c1-2-3-4-5-6-7-9-20-11-13-22-15-17-24-18-16-23-14-12-21-10-8-19/h19H,2-18H2,1H3
MJELOWOAIAAUJT-UHFFFAOYSA-N
CSID:140555, http://www.chemspider.com/Chemical-Structure.140555.html (accessed 10:49, May 4, 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) = 1.43 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 414.94 (Adapted Stein & Brown method) Melting Pt (deg C): 149.56 (Mean or Weighted MP) VP(mm Hg,25 deg C): 3.64E-009 (Modified Grain method) Subcooled liquid VP: 6.73E-008 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): 1188 log Kow used: 1.43 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 20775 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Surfactants-nonionic Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.77E-014 atm-m3/mole Group Method: 1.73E-018 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 1.413E-012 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.43 (KowWin est) Log Kaw used: -12.140 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 13.570 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.8890 Biowin2 (Non-Linear Model) : 0.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8396 (weeks ) Biowin4 (Primary Survey Model) : 3.6919 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.6784 Biowin6 (MITI Non-Linear Model): 0.5489 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.2729 Ready Biodegradability Prediction: YES Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 8.97E-006 Pa (6.73E-008 mm Hg) Log Koa (Koawin est ): 13.570 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.334 Octanol/air (Koa) model: 9.12 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.924 Mackay model : 0.964 Octanol/air (Koa) model: 0.999 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 85.2281 E-12 cm3/molecule-sec Half-Life = 0.125 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.506 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.944 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 10 Log Koc: 1.000 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 = 0.404 (BCF = 2.533) log Kow used: 1.43 (estimated) Volatilization from Water: Henry LC: 1.73E-018 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 6.336E+014 hours (2.64E+013 days) Half-Life from Model Lake : 6.912E+015 hours (2.88E+014 days) Removal In Wastewater Treatment: Total removal: 1.95 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.86 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 5.67e-010 3.01 1000 Water 30 360 1000 Soil 69.9 720 1000 Sediment 0.0689 3.24e+003 0 Persistence Time: 645 hr
Click to predict properties on the Chemicalize site
Advertisement
Spotlight