Try beta.chemspider
1-Ethyl-2-methylcyclopropane
CCC1CC1C
InChI=1S/C6H12/c1-3-6-4-5(6)2/h5-6H,3-4H2,1-2H3
SAHWBARCQUAFSM-UHFFFAOYSA-N
CSID:124012, http://www.chemspider.com/Chemical-Structure.124012.html (accessed 12:39, Apr 24, 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) = 3.03 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 68.53 (Adapted Stein & Brown method) Melting Pt (deg C): -87.86 (Mean or Weighted MP) VP(mm Hg,25 deg C): 151 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 96.6 log Kow used: 3.03 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 12.753 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.55E-001 atm-m3/mole Group Method: 2.81E-001 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 1.731E-001 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.03 (KowWin est) Log Kaw used: 1.018 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 2.012 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7075 Biowin2 (Non-Linear Model) : 0.8598 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.0132 (weeks ) Biowin4 (Primary Survey Model) : 3.7263 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5566 Biowin6 (MITI Non-Linear Model): 0.6323 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.6618 Ready Biodegradability Prediction: YES Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 0.5056 BioHC Half-Life (days) : 3.2033 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 1.97E+004 Pa (148 mm Hg) Log Koa (Koawin est ): 2.012 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.52E-010 Octanol/air (Koa) model: 2.52E-011 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 5.49E-009 Mackay model : 1.22E-008 Octanol/air (Koa) model: 2.02E-009 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 1.6425 E-12 cm3/molecule-sec Half-Life = 6.512 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 78.142 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 8.83E-009 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 136.5 Log Koc: 2.135 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 = 1.632 (BCF = 42.86) log Kow used: 3.03 (estimated) Volatilization from Water: Henry LC: 0.255 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 0.9382 hours (56.29 min) Half-Life from Model Lake : 87.16 hours (3.632 days) Removal In Wastewater Treatment (recommended maximum 95%): Total removal: 99.01 percent Total biodegradation: 0.02 percent Total sludge adsorption: 2.70 percent Total to Air: 96.28 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 45.9 156 1000 Water 49.9 360 1000 Soil 3.34 720 1000 Sediment 0.882 3.24e+003 0 Persistence Time: 123 hr
Click to predict properties on the Chemicalize site
Advertisement
Spotlight