Pentadecanal
CCCCCCCCCCCCCCC=O
InChI=1S/C15H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h15H,2-14H2,1H3
XGQJZNCFDLXSIJ-UHFFFAOYSA-N
CSID:16729, http://www.chemspider.com/Chemical-Structure.16729.html (accessed 13:33, Apr 19, 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) = 6.22 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 300.63 (Adapted Stein & Brown method) Melting Pt (deg C): 36.21 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.00189 (Modified Grain method) MP (exp database): 24.5 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 0.1556 log Kow used: 6.22 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.25578 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aldehydes Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.70E-003 atm-m3/mole Group Method: 5.35E-003 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 3.619E-003 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.22 (KowWin est) Log Kaw used: -0.957 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 7.177 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.0328 Biowin2 (Non-Linear Model) : 0.9999 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.0195 (weeks ) Biowin4 (Primary Survey Model) : 3.9868 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 1.0928 Biowin6 (MITI Non-Linear Model): 0.9871 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.8992 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): 0.252 Pa (0.00189 mm Hg) Log Koa (Koawin est ): 7.177 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.19E-005 Octanol/air (Koa) model: 3.69E-006 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00043 Mackay model : 0.000951 Octanol/air (Koa) model: 0.000295 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 41.5485 E-12 cm3/molecule-sec Half-Life = 0.257 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.089 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.000691 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 4281 Log Koc: 3.632 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 = 2.588 (BCF = 387.4) log Kow used: 6.22 (estimated) Volatilization from Water: Henry LC: 0.00535 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 1.7 hours Half-Life from Model Lake : 144.7 hours (6.03 days) Removal In Wastewater Treatment: Total removal: 93.29 percent Total biodegradation: 0.74 percent Total sludge adsorption: 90.26 percent Total to Air: 2.30 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.355 6.18 1000 Water 5.83 360 1000 Soil 38.1 720 1000 Sediment 55.7 3.24e+003 0 Persistence Time: 908 hr
Click to predict properties on the Chemicalize site
Advertisement
Spotlight