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1-Nonene
CCCCCCCC=C
InChI=1S/C9H18/c1-3-5-7-9-8-6-4-2/h3H,1,4-9H2,2H3
JRZJOMJEPLMPRA-UHFFFAOYSA-N
CSID:29025, http://www.chemspider.com/Chemical-Structure.29025.html (accessed 08:05, 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) = 4.62 Log Kow (Exper. database match) = 5.15 Exper. Ref: Hansch,C et al. (1995) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 141.02 (Adapted Stein & Brown method) Melting Pt (deg C): -57.53 (Mean or Weighted MP) VP(mm Hg,25 deg C): 5.89 (Mean VP of Antoine & Grain methods) MP (exp database): -81.3 deg C BP (exp database): 146.9 deg C VP (exp database): 5.40E+00 mm Hg at 25 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 1.104 log Kow used: 5.15 (expkow database) no-melting pt equation used Water Sol (Exper. database match) = 1.12 mg/L (25 deg C) Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1.2916 mg/L Wat Sol (Exper. database match) = 1.12 Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992) ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 8.39E-001 atm-m3/mole Group Method: 1.51E+000 atm-m3/mole Exper Database: 7.99E-01 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 8.862E-001 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.15 (exp database) Log Kaw used: 1.514 (exp database) Log Koa (KOAWIN v1.10 estimate): 3.636 Log Koa (experimental database): 3.830 Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7959 Biowin2 (Non-Linear Model) : 0.9552 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.2185 (weeks ) Biowin4 (Primary Survey Model) : 3.9347 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.6520 Biowin6 (MITI Non-Linear Model): 0.8268 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.3742 Ready Biodegradability Prediction: YES Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 0.7714 BioHC Half-Life (days) : 5.9071 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 720 Pa (5.4 mm Hg) Log Koa (Exp database): 3.830 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 4.17E-009 Octanol/air (Koa) model: 1.66E-009 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.5E-007 Mackay model : 3.33E-007 Octanol/air (Koa) model: 1.33E-007 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 34.4171 E-12 cm3/molecule-sec Half-Life = 0.311 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.729 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 1.200000 E-17 cm3/molecule-sec Half-Life = 0.955 Days (at 7E11 mol/cm3) Half-Life = 22.920 Hrs Fraction sorbed to airborne particulates (phi): 2.42E-007 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 934.6 Log Koc: 2.971 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 = 3.266 (BCF = 1843) log Kow used: 5.15 (expkow database) Volatilization from Water: Henry LC: 0.799 atm-m3/mole (Henry experimental database) Half-Life from Model River: 1.147 hours Half-Life from Model Lake : 106.7 hours (4.447 days) Removal In Wastewater Treatment (recommended maximum 95%): Total removal: 99.77 percent Total biodegradation: 0.16 percent Total sludge adsorption: 51.22 percent Total to Air: 48.39 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 2.04 5.63 1000 Water 23 360 1000 Soil 38.9 720 1000 Sediment 36.1 3.24e+003 0 Persistence Time: 260 hr
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