Try beta.chemspider
1-Tridecene
CCCCCCCCCCCC=C
InChI=1S/C13H26/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3H,1,4-13H2,2H3
VQOXUMQBYILCKR-UHFFFAOYSA-N
CSID:16180, http://www.chemspider.com/Chemical-Structure.16180.html (accessed 18:39, 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) = 6.59 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 223.50 (Adapted Stein & Brown method) Melting Pt (deg C): -10.90 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.105 (Mean VP of Antoine & Grain methods) MP (exp database): -13 deg C BP (exp database): 232.8 deg C VP (exp database): 6.38E-02 mm Hg at 25 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 0.03674 log Kow used: 6.59 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.013266 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.61E+000 atm-m3/mole Group Method: 6.00E+000 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 6.857E-001 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.59 (KowWin est) Log Kaw used: 2.028 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 4.562 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7692 Biowin2 (Non-Linear Model) : 0.9058 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.0945 (weeks ) Biowin4 (Primary Survey Model) : 3.8537 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.6828 Biowin6 (MITI Non-Linear Model): 0.8404 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.4781 Ready Biodegradability Prediction: YES Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 1.0370 BioHC Half-Life (days) : 10.8887 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 8.51 Pa (0.0638 mm Hg) Log Koa (Koawin est ): 4.562 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.53E-007 Octanol/air (Koa) model: 8.95E-009 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.27E-005 Mackay model : 2.82E-005 Octanol/air (Koa) model: 7.16E-007 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 40.0693 E-12 cm3/molecule-sec Half-Life = 0.267 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.203 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 1.200000 E-17 cm3/molecule-sec Half-Life = 0.955 Days (at 7E11 mol/cm3) Half-Life = 22.920 Hrs Fraction sorbed to airborne particulates (phi): 2.05E-005 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.082E+004 Log Koc: 4.034 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 = 2.874 (BCF = 747.8) log Kow used: 6.59 (estimated) Volatilization from Water: Henry LC: 2.61 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.378 hours Half-Life from Model Lake : 128.3 hours (5.344 days) Removal In Wastewater Treatment (recommended maximum 95%): Total removal: 99.51 percent Total biodegradation: 0.22 percent Total sludge adsorption: 62.01 percent Total to Air: 37.29 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.306 5.01 1000 Water 5.1 360 1000 Soil 27.5 720 1000 Sediment 67 3.24e+003 0 Persistence Time: 976 hr
Click to predict properties on the Chemicalize site
Advertisement
Spotlight