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- Double-bond stereo
Decyl (9Z)-9-octadecenoate
CCCCCCCCCCOC(=O)CCCCCCC/C=C\CCCCCCCC
InChI=1S/C28H54O2/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-22-24-26-28(29)30-27-25-23-21-12-10-8-6-4-2/h15-16H,3-14,17-27H2,1-2H3/b16-15-
SASYSVUEVMOWPL-NXVVXOECSA-N
CSID:4515604, http://www.chemspider.com/Chemical-Structure.4515604.html (accessed 06:21, Apr 27, 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) = 12.44 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 457.00 (Adapted Stein & Brown method) Melting Pt (deg C): 161.29 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.31E-008 (Modified Grain method) Subcooled liquid VP: 3.29E-007 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): 5.303e-008 log Kow used: 12.44 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 4.2274e-007 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.84E-001 atm-m3/mole Group Method: 1.65E-001 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 1.374E-001 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 12.44 (KowWin est) Log Kaw used: 0.876 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 11.564 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.9373 Biowin2 (Non-Linear Model) : 0.9916 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.0019 (weeks ) Biowin4 (Primary Survey Model) : 4.0049 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.9480 Biowin6 (MITI Non-Linear Model): 0.9395 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.6641 Ready Biodegradability Prediction: YES Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 4.39E-005 Pa (3.29E-007 mm Hg) Log Koa (Koawin est ): 11.564 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0684 Octanol/air (Koa) model: 0.0899 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.712 Mackay model : 0.845 Octanol/air (Koa) model: 0.878 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 87.5459 E-12 cm3/molecule-sec [Cis-isomer] OVERALL OH Rate Constant = 95.1459 E-12 cm3/molecule-sec [Trans-isomer] Half-Life = 1.466 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer] Half-Life = 1.349 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): 0.779 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.542E+007 Log Koc: 7.188 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 1.077E-002 L/mol-sec Kb Half-Life at pH 8: 2.040 years Kb Half-Life at pH 7: 20.398 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.500 (BCF = 3.162) log Kow used: 12.44 (estimated) Volatilization from Water: Henry LC: 0.165 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 2.105 hours Half-Life from Model Lake : 195.4 hours (8.14 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 0.0446 1.23 1000 Water 3.72 360 1000 Soil 28.6 720 1000 Sediment 67.7 3.24e+003 0 Persistence Time: 1.25e+003 hr
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