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1-Cyclopropylethanol
CC(C1CC1)O
InChI=1S/C5H10O/c1-4(6)5-2-3-5/h4-6H,2-3H2,1H3
DKKVKJZXOBFLRY-UHFFFAOYSA-N
CSID:71435, http://www.chemspider.com/Chemical-Structure.71435.html (accessed 13:02, Apr 25, 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) = 1.07 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 119.62 (Adapted Stein & Brown method) Melting Pt (deg C): -53.55 (Mean or Weighted MP) VP(mm Hg,25 deg C): 5.8 (Mean VP of Antoine & Grain methods) MP (exp database): -32.1 deg C BP (exp database): 123.5 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 4.989e+004 log Kow used: 1.07 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 55674 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.69E-006 atm-m3/mole Group Method: 3.15E-006 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 1.318E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.07 (KowWin est) Log Kaw used: -3.821 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 4.891 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8653 Biowin2 (Non-Linear Model) : 0.9480 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.1688 (weeks ) Biowin4 (Primary Survey Model) : 3.8529 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.6187 Biowin6 (MITI Non-Linear Model): 0.7869 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.5228 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): 708 Pa (5.31 mm Hg) Log Koa (Koawin est ): 4.891 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 4.24E-009 Octanol/air (Koa) model: 1.91E-008 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.53E-007 Mackay model : 3.39E-007 Octanol/air (Koa) model: 1.53E-006 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 8.7877 E-12 cm3/molecule-sec Half-Life = 1.217 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 14.606 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 2.46E-007 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 3.94 Log Koc: 0.595 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 = 0.126 (BCF = 1.337) log Kow used: 1.07 (estimated) Volatilization from Water: Henry LC: 3.15E-006 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 173.4 hours (7.227 days) Half-Life from Model Lake : 1970 hours (82.08 days) Removal In Wastewater Treatment: Total removal: 2.07 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.80 percent Total to Air: 0.18 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 2.87 29.2 1000 Water 42.5 360 1000 Soil 54.6 720 1000 Sediment 0.0864 3.24e+003 0 Persistence Time: 366 hr
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