Try beta.chemspider
- Double-bond stereo
(2Z)-2-Benzylideneheptyl formate
CCCCC/C(=C/c1ccccc1)/COC=O
InChI=1S/C15H20O2/c1-2-3-5-10-15(12-17-13-16)11-14-8-6-4-7-9-14/h4,6-9,11,13H,2-3,5,10,12H2,1H3/b15-11-
AWNFWGNFOOJDNO-PTNGSMBKSA-N
CSID:4940526, http://www.chemspider.com/Chemical-Structure.4940526.html (accessed 01:35, 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) = 4.81 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 316.20 (Adapted Stein & Brown method) Melting Pt (deg C): 61.35 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.000377 (Modified Grain method) Subcooled liquid VP: 0.000822 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): 2.296 log Kow used: 4.81 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1.7227 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 6.87E-005 atm-m3/mole Group Method: 3.46E-005 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 5.020E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.81 (KowWin est) Log Kaw used: -2.551 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 7.361 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.0476 Biowin2 (Non-Linear Model) : 0.9994 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.1463 (weeks ) Biowin4 (Primary Survey Model) : 4.0155 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.6595 Biowin6 (MITI Non-Linear Model): 0.7429 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.4081 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): 0.11 Pa (0.000822 mm Hg) Log Koa (Koawin est ): 7.361 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.74E-005 Octanol/air (Koa) model: 5.64E-006 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.000988 Mackay model : 0.00218 Octanol/air (Koa) model: 0.000451 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 95.5186 E-12 cm3/molecule-sec Half-Life = 0.112 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.344 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 88.724998 E-17 cm3/molecule-sec Half-Life = 0.013 Days (at 7E11 mol/cm3) Half-Life = 18.599 Min Fraction sorbed to airborne particulates (phi): 0.00159 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 5777 Log Koc: 3.762 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 4.253E+001 L/mol-sec Kb Half-Life at pH 8: 4.527 hours Kb Half-Life at pH 7: 1.886 days Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 3.006 (BCF = 1013) log Kow used: 4.81 (estimated) Volatilization from Water: Henry LC: 3.46E-005 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 27.35 hours (1.139 days) Half-Life from Model Lake : 426.1 hours (17.76 days) Removal In Wastewater Treatment: Total removal: 71.02 percent Total biodegradation: 0.63 percent Total sludge adsorption: 69.92 percent Total to Air: 0.47 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.0279 0.278 1000 Water 18.9 360 1000 Soil 66.7 720 1000 Sediment 14.3 3.24e+003 0 Persistence Time: 519 hr
Click to predict properties on the Chemicalize site
Advertisement
Spotlight