- 1 of 1 defined stereocentres
(2S)-2-(Dodecyloxy)-1-propanol
O(CCCCCCCCCCCC)[C@H](CO)C
InChI=1S/C15H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-17-15(2)14-16/h15-16H,3-14H2,1-2H3/t15-/m0/s1
UKCFWUCWNZTUPT-HNNXBMFYSA-N
CSID:9023207, http://www.chemspider.com/Chemical-Structure.9023207.html (accessed 08:12, 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) = 4.91 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 323.51 (Adapted Stein & Brown method) Melting Pt (deg C): 64.47 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.26E-005 (Modified Grain method) Subcooled liquid VP: 2.96E-005 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): 5.237 log Kow used: 4.91 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 7.905 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.25E-006 atm-m3/mole Group Method: 7.73E-007 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 7.738E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.91 (KowWin est) Log Kaw used: -4.292 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 9.202 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5510 Biowin2 (Non-Linear Model) : 0.2829 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.1087 (weeks ) Biowin4 (Primary Survey Model) : 3.8839 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.6907 Biowin6 (MITI Non-Linear Model): 0.8115 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.3808 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): 0.00395 Pa (2.96E-005 mm Hg) Log Koa (Koawin est ): 9.202 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00076 Octanol/air (Koa) model: 0.000391 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0267 Mackay model : 0.0573 Octanol/air (Koa) model: 0.0303 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 42.5331 E-12 cm3/molecule-sec Half-Life = 0.251 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.018 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.042 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 180.9 Log Koc: 2.257 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 = 2.083 (BCF = 121.1) log Kow used: 4.91 (estimated) Volatilization from Water: Henry LC: 7.73E-007 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 1186 hours (49.41 days) Half-Life from Model Lake : 1.307E+004 hours (544.4 days) Removal In Wastewater Treatment: Total removal: 74.65 percent Total biodegradation: 0.66 percent Total sludge adsorption: 73.99 percent Total to Air: 0.01 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.456 6.04 1000 Water 18.8 360 1000 Soil 63 720 1000 Sediment 17.7 3.24e+003 0 Persistence Time: 566 hr
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