Try beta.chemspider
7-(Isopropoxymethyl)-8-pentadecanol
OC(C(CCCCCC)COC(C)C)CCCCCCC
InChI=1S/C19H40O2/c1-5-7-9-11-13-15-19(20)18(16-21-17(3)4)14-12-10-8-6-2/h17-20H,5-16H2,1-4H3
BLIDRPIFKFMMDI-UHFFFAOYSA-N
CSID:9372432, http://www.chemspider.com/Chemical-Structure.9372432.html (accessed 05:06, 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) = 6.73 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 353.59 (Adapted Stein & Brown method) Melting Pt (deg C): 80.79 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.21E-006 (Modified Grain method) Subcooled liquid VP: 4.12E-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): 0.07051 log Kow used: 6.73 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.19412 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: 6.14E-006 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 6.786E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.73 (KowWin est) Log Kaw used: -3.799 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 10.529 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6327 Biowin2 (Non-Linear Model) : 0.5292 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.2830 (days-weeks ) Biowin4 (Primary Survey Model) : 4.0720 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4233 Biowin6 (MITI Non-Linear Model): 0.4205 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.4278 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): 0.000549 Pa (4.12E-006 mm Hg) Log Koa (Koawin est ): 10.529 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00546 Octanol/air (Koa) model: 0.0083 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.165 Mackay model : 0.304 Octanol/air (Koa) model: 0.399 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 55.2112 E-12 cm3/molecule-sec Half-Life = 0.194 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.325 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.234 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1648 Log Koc: 3.217 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 = 2.982 (BCF = 960.3) log Kow used: 6.73 (estimated) Volatilization from Water: Henry LC: 6.14E-006 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 167.1 hours (6.961 days) Half-Life from Model Lake : 1968 hours (82 days) Removal In Wastewater Treatment: Total removal: 93.68 percent Total biodegradation: 0.78 percent Total sludge adsorption: 92.90 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 0.321 4.65 1000 Water 6.83 208 1000 Soil 32.7 416 1000 Sediment 60.2 1.87e+003 0 Persistence Time: 631 hr
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