Try beta.chemspider
1-Ethoxy-1,3-dimethoxypentane
CCC(CC(OC)OCC)OC
InChI=1S/C9H20O3/c1-5-8(10-3)7-9(11-4)12-6-2/h8-9H,5-7H2,1-4H3
XAPMEYQVHUTUEC-UHFFFAOYSA-N
CSID:2289670, http://www.chemspider.com/Chemical-Structure.2289670.html (accessed 17:57, May 16, 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) = 1.35 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 183.77 (Adapted Stein & Brown method) Melting Pt (deg C): -25.82 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.11 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 4052 log Kow used: 1.35 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 41725 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.44E-006 atm-m3/mole Group Method: 5.48E-007 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 6.353E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.35 (KowWin est) Log Kaw used: -4.001 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 5.351 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.3784 Biowin2 (Non-Linear Model) : 0.0001 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7837 (weeks ) Biowin4 (Primary Survey Model) : 3.5642 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2407 Biowin6 (MITI Non-Linear Model): 0.1522 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.5077 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): 135 Pa (1.01 mm Hg) Log Koa (Koawin est ): 5.351 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.23E-008 Octanol/air (Koa) model: 5.51E-008 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 8.05E-007 Mackay model : 1.78E-006 Octanol/air (Koa) model: 4.41E-006 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 37.1989 E-12 cm3/molecule-sec Half-Life = 0.288 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.450 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 1.29E-006 (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 = 0.338 (BCF = 2.178) log Kow used: 1.35 (estimated) Volatilization from Water: Henry LC: 2.44E-006 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 319.9 hours (13.33 days) Half-Life from Model Lake : 3601 hours (150.1 days) Removal In Wastewater Treatment: Total removal: 2.07 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.84 percent Total to Air: 0.14 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.875 6.9 1000 Water 40.4 360 1000 Soil 58.7 720 1000 Sediment 0.0895 3.24e+003 0 Persistence Time: 369 hr
Click to predict properties on the Chemicalize site
Advertisement
Spotlight