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pentan-1-ol
[CH2]CCCCO
InChI=1S/C5H11O/c1-2-3-4-5-6/h6H,1-5H2
TXOYKDGTZWMBQJ-UHFFFAOYSA-N
Date of deprecation: 11:53, May 7, 2024 Reason for deprecation: Deprecate record:
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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) = 1.33 Log Kow (Exper. database match) = 1.51 Exper. Ref: Sangster (1994) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 136.95 (Adapted Stein & Brown method) Melting Pt (deg C): -49.96 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.65 (Mean VP of Antoine & Grain methods) MP (exp database): -78.9 deg C BP (exp database): 137.9 deg C VP (exp database): 2.20E+00 mm Hg at 25 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 2.089e+004 log Kow used: 1.51 (expkow database) no-melting pt equation used Water Sol (Exper. database match) = 2.2e+004 mg/L (25 deg C) Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 21200 mg/L Wat Sol (Exper. database match) = 22000.00 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 : 1.33E-005 atm-m3/mole Group Method: 1.38E-005 atm-m3/mole Exper Database: 1.30E-05 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 1.471E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.51 (exp database) Log Kaw used: -3.275 (exp database) Log Koa (KOAWIN v1.10 estimate): 4.785 Log Koa (experimental database): 4.690 Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.9727 Biowin2 (Non-Linear Model) : 0.9912 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.4627 (days-weeks ) Biowin4 (Primary Survey Model) : 4.1191 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.8091 Biowin6 (MITI Non-Linear Model): 0.9383 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.6755 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): 293 Pa (2.2 mm Hg) Log Koa (Exp database): 4.690 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.02E-008 Octanol/air (Koa) model: 1.2E-008 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 3.69E-007 Mackay model : 8.18E-007 Octanol/air (Koa) model: 9.62E-007 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 8.3031 E-12 cm3/molecule-sec Half-Life = 1.288 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 15.458 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 5.94E-007 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 4.506 Log Koc: 0.654 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 = 0.463 (BCF = 2.902) log Kow used: 1.51 (expkow database) Volatilization from Water: Henry LC: 1.3E-005 atm-m3/mole (Henry experimental database) Half-Life from Model River: 43.24 hours (1.802 days) Half-Life from Model Lake : 550.5 hours (22.94 days) Removal In Wastewater Treatment: Total removal: 2.69 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.87 percent Total to Air: 0.72 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 3.65 23.1 1000 Water 35.9 208 1000 Soil 60.3 416 1000 Sediment 0.08 1.87e+003 0 Persistence Time: 249 hr
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