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1-(Hexadecyloxy)-2-propanol
CCCCCCCCCCCCCCCCOCC(C)O
InChI=1S/C19H40O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-18-19(2)20/h19-20H,3-18H2,1-2H3
BTCDHHLEMIHZDI-UHFFFAOYSA-N
CSID:475194, http://www.chemspider.com/Chemical-Structure.475194.html (accessed 05:53, Jun 1, 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) = 6.88 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 367.58 (Adapted Stein & Brown method) Melting Pt (deg C): 99.87 (Mean or Weighted MP) VP(mm Hg,25 deg C): 3.04E-007 (Modified Grain method) Subcooled liquid VP: 1.63E-006 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): 0.05281 log Kow used: 6.88 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.069115 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.89E-006 atm-m3/mole Group Method: 3.08E-006 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 2.276E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.88 (KowWin est) Log Kaw used: -3.799 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 10.679 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5243 Biowin2 (Non-Linear Model) : 0.1510 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.9847 (weeks ) Biowin4 (Primary Survey Model) : 3.8029 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.7215 Biowin6 (MITI Non-Linear Model): 0.8260 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.4847 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): 0.000217 Pa (1.63E-006 mm Hg) Log Koa (Koawin est ): 10.679 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0138 Octanol/air (Koa) model: 0.0117 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.333 Mackay model : 0.525 Octanol/air (Koa) model: 0.484 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 44.9681 E-12 cm3/molecule-sec Half-Life = 0.238 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.854 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.429 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1998 Log Koc: 3.301 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 = 3.096 (BCF = 1246) log Kow used: 6.88 (estimated) Volatilization from Water: Henry LC: 3.08E-006 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 331.3 hours (13.8 days) Half-Life from Model Lake : 3760 hours (156.7 days) Removal In Wastewater Treatment: Total removal: 93.78 percent Total biodegradation: 0.78 percent Total sludge adsorption: 93.01 percent Total to Air: 0.00 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.192 5.71 1000 Water 4.28 360 1000 Soil 30.5 720 1000 Sediment 65 3.24e+003 0 Persistence Time: 1.21e+003 hr
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