Try beta.chemspider
- Double-bond stereo
- Non-standard isotope
(3Z)-(5,6,7,7-~2~H_4_)-3-Nonen-1-ol
CCCCCC=CCCO
InChI=1S/C9H18O/c1-2-3-4-5-6-7-8-9-10/h6-7,10H,2-5,8-9H2,1H3/b7-6-/i3D2,4D,5D
IFTBJDZSLBRRMC-OCXYQWFHSA-N
CSID:9095898, http://www.chemspider.com/Chemical-Structure.9095898.html (accessed 11:37, May 13, 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) = 3.08 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 225.90 (Adapted Stein & Brown method) Melting Pt (deg C): -4.00 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.015 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 619.3 log Kow used: 3.08 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 538.15 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.62E-005 atm-m3/mole Group Method: 1.44E-005 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 4.533E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.08 (KowWin est) Log Kaw used: -2.830 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 5.910 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.9470 Biowin2 (Non-Linear Model) : 0.9811 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.3431 (days-weeks ) Biowin4 (Primary Survey Model) : 4.0410 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.7594 Biowin6 (MITI Non-Linear Model): 0.8886 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.5804 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): 1.85 Pa (0.0139 mm Hg) Log Koa (Koawin est ): 5.910 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.62E-006 Octanol/air (Koa) model: 2E-007 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 5.85E-005 Mackay model : 0.000129 Octanol/air (Koa) model: 1.6E-005 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 67.0007 E-12 cm3/molecule-sec [Cis-isomer] OVERALL OH Rate Constant = 74.6007 E-12 cm3/molecule-sec [Trans-isomer] Half-Life = 1.916 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer] Half-Life = 1.721 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): 9.4E-005 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 52.14 Log Koc: 1.717 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 = 1.673 (BCF = 47.07) log Kow used: 3.08 (estimated) Volatilization from Water: Henry LC: 3.62E-005 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 20.51 hours Half-Life from Model Lake : 323.7 hours (13.49 days) Removal In Wastewater Treatment: Total removal: 8.20 percent Total biodegradation: 0.13 percent Total sludge adsorption: 6.23 percent Total to Air: 1.84 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.257 1.36 1000 Water 26.8 208 1000 Soil 72.5 416 1000 Sediment 0.387 1.87e+003 0 Persistence Time: 270 hr
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