Try beta.chemspider
- Double-bond stereo
(3Z)-5-Ethyl-2,2-dimethyl-5-phenyl-3-nonanimine
[H]/N=C(/CC(CC)(CCCC)c1ccccc1)\C(C)(C)C
InChI=1S/C19H31N/c1-6-8-14-19(7-2,15-17(20)18(3,4)5)16-12-10-9-11-13-16/h9-13,20H,6-8,14-15H2,1-5H3/b20-17-
YZHYIVHVOFCJGW-JZJYNLBNSA-N
CSID:232751, http://www.chemspider.com/Chemical-Structure.232751.html (accessed 09:53, May 10, 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) = 5.84 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 349.02 (Adapted Stein & Brown method) Melting Pt (deg C): 103.68 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.37E-005 (Modified Grain method) Subcooled liquid VP: 0.000139 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): 0.1792 log Kow used: 5.84 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.00093123 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Schiff Bases Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 5.34E-003 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 4.759E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.84 (KowWin est) Log Kaw used: -0.661 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 6.501 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.4860 Biowin2 (Non-Linear Model) : 0.3367 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.4910 (weeks-months) Biowin4 (Primary Survey Model) : 3.4203 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3240 Biowin6 (MITI Non-Linear Model): 0.1511 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.6770 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 0.0185 Pa (0.000139 mm Hg) Log Koa (Koawin est ): 6.501 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000162 Octanol/air (Koa) model: 7.78E-007 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00581 Mackay model : 0.0128 Octanol/air (Koa) model: 6.22E-005 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 11.6689 E-12 cm3/molecule-sec Half-Life = 0.917 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 10.999 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0093 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 3.956E+005 Log Koc: 5.597 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 = 3.798 (BCF = 6280) log Kow used: 5.84 (estimated) Volatilization from Water: Henry LC: 0.00534 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.869 hours Half-Life from Model Lake : 159 hours (6.627 days) Removal In Wastewater Treatment: Total removal: 92.37 percent Total biodegradation: 0.69 percent Total sludge adsorption: 86.61 percent Total to Air: 5.07 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.61 22 1000 Water 4.04 900 1000 Soil 48.4 1.8e+003 1000 Sediment 46.9 8.1e+003 0 Persistence Time: 1.78e+003 hr
Click to predict properties on the Chemicalize site
Advertisement
Spotlight