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5-Methyl-3,4-dihydro-2H-pyran-2,3,4-triyl
CC1=CO[CH][CH][CH]1
InChI=1S/C6H7O/c1-6-3-2-4-7-5-6/h2-5H,1H3
SCRLLDUEKYMHDB-UHFFFAOYSA-N
CSID:9147780, http://www.chemspider.com/Chemical-Structure.9147780.html (accessed 11:31, Apr 29, 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
No predicted properties have been calculated for this compound.
Predicted data is generated using the US Environmental Protection Agency�s EPISuite
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 1.76 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 121.05 (Adapted Stein & Brown method) Melting Pt (deg C): -53.65 (Mean or Weighted MP) VP(mm Hg,25 deg C): 18 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 3717 log Kow used: 1.76 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 29697 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Vinyl/Allyl Ethers Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 8.24E-003 atm-m3/mole Group Method: 1.12E-003 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 6.254E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.76 (KowWin est) Log Kaw used: -0.473 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 2.233 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.3535 Biowin2 (Non-Linear Model) : 0.1401 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.9736 (weeks ) Biowin4 (Primary Survey Model) : 3.6964 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4874 Biowin6 (MITI Non-Linear Model): 0.5848 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.0657 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): 2.24E+003 Pa (16.8 mm Hg) Log Koa (Koawin est ): 2.233 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.34E-009 Octanol/air (Koa) model: 4.2E-011 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 4.84E-008 Mackay model : 1.07E-007 Octanol/air (Koa) model: 3.36E-009 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 125.2835 E-12 cm3/molecule-sec Half-Life = 0.085 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.024 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 36.968750 E-17 cm3/molecule-sec Half-Life = 0.031 Days (at 7E11 mol/cm3) Half-Life = 44.639 Min Fraction sorbed to airborne particulates (phi): 7.78E-008 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 14.58 Log Koc: 1.164 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 = 0.655 (BCF = 4.522) log Kow used: 1.76 (estimated) Volatilization from Water: Henry LC: 0.00112 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 1.529 hours Half-Life from Model Lake : 99.75 hours (4.156 days) Removal In Wastewater Treatment: Total removal: 33.06 percent Total biodegradation: 0.07 percent Total sludge adsorption: 1.47 percent Total to Air: 31.52 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.479 0.546 1000 Water 57.4 360 1000 Soil 42 720 1000 Sediment 0.162 3.24e+003 0 Persistence Time: 122 hr
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