1-Hepten-3-ol
CCCCC(C=C)O
InChI=1S/C7H14O/c1-3-5-6-7(8)4-2/h4,7-8H,2-3,5-6H2,1H3
PZKFYTOLVRCMOA-UHFFFAOYSA-N
CSID:19802, http://www.chemspider.com/Chemical-Structure.19802.html (accessed 16:56, 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) = 2.10 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 159.08 (Adapted Stein & Brown method) Melting Pt (deg C): -40.61 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.81 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 5435 log Kow used: 2.10 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 4015.6 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Vinyl/Allyl Alcohols Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.74E-005 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.239E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.10 (KowWin est) Log Kaw used: -3.148 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 5.248 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.9603 Biowin2 (Non-Linear Model) : 0.9872 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.4051 (days-weeks ) Biowin4 (Primary Survey Model) : 4.0815 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.6501 Biowin6 (MITI Non-Linear Model): 0.8216 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.2631 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): 96.4 Pa (0.723 mm Hg) Log Koa (Koawin est ): 5.248 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.11E-008 Octanol/air (Koa) model: 4.35E-008 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.12E-006 Mackay model : 2.49E-006 Octanol/air (Koa) model: 3.48E-006 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 38.9339 E-12 cm3/molecule-sec Half-Life = 0.275 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.297 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 1.200000 E-17 cm3/molecule-sec Half-Life = 0.955 Days (at 7E11 mol/cm3) Half-Life = 22.920 Hrs Fraction sorbed to airborne particulates (phi): 1.81E-006 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 13.46 Log Koc: 1.129 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 = 0.920 (BCF = 8.325) log Kow used: 2.10 (estimated) Volatilization from Water: Henry LC: 1.74E-005 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 37.05 hours (1.544 days) Half-Life from Model Lake : 493.8 hours (20.57 days) Removal In Wastewater Treatment: Total removal: 3.28 percent Total biodegradation: 0.10 percent Total sludge adsorption: 2.23 percent Total to Air: 0.95 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.955 5.12 1000 Water 31.2 208 1000 Soil 67.7 416 1000 Sediment 0.111 1.87e+003 0 Persistence Time: 259 hr
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