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- Double-bond stereo
(14Z)-13-Methyl-14-nonacosene
CCCCCCCCCCCCCC/C=C\C(C)CCCCCCCCCCCC
InChI=1S/C30H60/c1-4-6-8-10-12-14-16-17-18-19-21-23-25-27-29-30(3)28-26-24-22-20-15-13-11-9-7-5-2/h27,29-30H,4-26,28H2,1-3H3/b29-27-
GSDXNBHVXKZXOT-OHYPFYFLSA-N
CSID:4517187, http://www.chemspider.com/Chemical-Structure.4517187.html (accessed 11:51, May 1, 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) = 14.79 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 447.03 (Adapted Stein & Brown method) Melting Pt (deg C): 140.99 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.06E-007 (Modified Grain method) Subcooled liquid VP: 1.57E-006 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): 1.557e-010 log Kow used: 14.79 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 4.2081e-007 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.80E+002 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.770E+002 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 14.79 (KowWin est) Log Kaw used: 4.191 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 10.599 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7641 Biowin2 (Non-Linear Model) : 0.6727 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8659 (weeks ) Biowin4 (Primary Survey Model) : 3.7787 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.6091 Biowin6 (MITI Non-Linear Model): 0.6683 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.2728 Ready Biodegradability Prediction: YES Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 2.0705 BioHC Half-Life (days) : 117.6127 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 0.000209 Pa (1.57E-006 mm Hg) Log Koa (Koawin est ): 10.599 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0143 Octanol/air (Koa) model: 0.00975 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.341 Mackay model : 0.534 Octanol/air (Koa) model: 0.438 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 92.4085 E-12 cm3/molecule-sec [Cis-isomer] OVERALL OH Rate Constant = 100.0085 E-12 cm3/molecule-sec [Trans-isomer] Half-Life = 1.389 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer] Half-Life = 1.283 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer] Ozone Reaction: OVERALL Ozone Rate Constant = 13.000000 E-17 cm3/molecule-sec [Cis-] OVERALL Ozone Rate Constant = 20.000000 E-17 cm3/molecule-sec [Trans-] Half-Life = 2.116 Hrs (at 7E11 mol/cm3) [Cis-isomer] Half-Life = 1.375 Hrs (at 7E11 mol/cm3) [Trans-isomer] Reaction With Nitrate Radicals May Be Important! Fraction sorbed to airborne particulates (phi): 0.438 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 3.141E+008 Log Koc: 8.497 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 = 0.500 (BCF = 3.162) log Kow used: 14.79 (estimated) Volatilization from Water: Henry LC: 380 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.093 hours Half-Life from Model Lake : 194.8 hours (8.118 days) Removal In Wastewater Treatment: Total removal: 94.04 percent Total biodegradation: 0.78 percent Total sludge adsorption: 93.26 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 0.0447 1.2 1000 Water 3.73 360 1000 Soil 28.3 720 1000 Sediment 68 3.24e+003 0 Persistence Time: 1.25e+003 hr
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