1-Dodecene
CCCCCCCCCCC=C
InChI=1S/C12H24/c1-3-5-7-9-11-12-10-8-6-4-2/h3H,1,4-12H2,2H3
CRSBERNSMYQZNG-UHFFFAOYSA-N
CSID:7891, http://www.chemspider.com/Chemical-Structure.7891.html (accessed 00:07, Apr 20, 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) = 6.10 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 204.24 (Adapted Stein & Brown method) Melting Pt (deg C): -22.16 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.267 (Mean VP of Antoine & Grain methods) MP (exp database): -35.2 deg C BP (exp database): 213.8 deg C VP (exp database): 1.59E-01 mm Hg at 25 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 0.1127 log Kow used: 6.10 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.04217 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.96E+000 atm-m3/mole Group Method: 4.25E+000 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 5.247E-001 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.10 (KowWin est) Log Kaw used: 1.904 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 4.196 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7758 Biowin2 (Non-Linear Model) : 0.9214 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.1255 (weeks ) Biowin4 (Primary Survey Model) : 3.8740 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.6751 Biowin6 (MITI Non-Linear Model): 0.8371 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.4521 Ready Biodegradability Prediction: YES Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 0.9706 BioHC Half-Life (days) : 9.3449 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 21.2 Pa (0.159 mm Hg) Log Koa (Koawin est ): 4.196 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.42E-007 Octanol/air (Koa) model: 3.85E-009 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 5.11E-006 Mackay model : 1.13E-005 Octanol/air (Koa) model: 3.08E-007 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 38.6563 E-12 cm3/molecule-sec Half-Life = 0.277 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.320 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): 8.22E-006 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 5864 Log Koc: 3.768 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 = 2.496 (BCF = 313.1) log Kow used: 6.10 (estimated) Volatilization from Water: Henry LC: 1.96 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.324 hours Half-Life from Model Lake : 123.2 hours (5.135 days) Removal In Wastewater Treatment (recommended maximum 95%): Total removal: 99.74 percent Total biodegradation: 0.19 percent Total sludge adsorption: 59.87 percent Total to Air: 39.68 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.526 5.15 1000 Water 7.55 360 1000 Soil 29.3 720 1000 Sediment 62.7 3.24e+003 0 Persistence Time: 709 hr
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