Try beta.chemspider
1,3,5-Triisopropylcyclohexane
CC(C)C1CC(CC(C1)C(C)C)C(C)C
InChI=1S/C15H30/c1-10(2)13-7-14(11(3)4)9-15(8-13)12(5)6/h10-15H,7-9H2,1-6H3
NPNNVCRGZWDXKY-UHFFFAOYSA-N
CSID:3776380, http://www.chemspider.com/Chemical-Structure.3776380.html (accessed 04:58, Jun 1, 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) = 7.15 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 225.97 (Adapted Stein & Brown method) Melting Pt (deg C): -21.08 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.147 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 0.008717 log Kow used: 7.15 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.0095439 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.27E+000 atm-m3/mole Group Method: 1.31E+001 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 4.669E+000 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 7.15 (KowWin est) Log Kaw used: 2.126 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 5.024 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6474 Biowin2 (Non-Linear Model) : 0.5052 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7342 (weeks-months) Biowin4 (Primary Survey Model) : 3.5442 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0331 Biowin6 (MITI Non-Linear Model): 0.0320 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.3806 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 1.1294 BioHC Half-Life (days) : 13.4706 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 18.4 Pa (0.138 mm Hg) Log Koa (Koawin est ): 5.024 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.63E-007 Octanol/air (Koa) model: 2.59E-008 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 5.89E-006 Mackay model : 1.3E-005 Octanol/air (Koa) model: 2.08E-006 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 23.2317 E-12 cm3/molecule-sec Half-Life = 0.460 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 5.525 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 9.47E-006 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.993E+004 Log Koc: 4.300 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 = 4.598 (BCF = 3.966e+004) log Kow used: 7.15 (estimated) Volatilization from Water: Henry LC: 3.27 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.48 hours Half-Life from Model Lake : 137.8 hours (5.741 days) Removal In Wastewater Treatment (recommended maximum 95%): Total removal: 98.85 percent Total biodegradation: 0.29 percent Total sludge adsorption: 66.10 percent Total to Air: 32.46 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.206 11 1000 Water 2.18 900 1000 Soil 25 1.8e+003 1000 Sediment 72.6 8.1e+003 0 Persistence Time: 2.77e+003 hr
Click to predict properties on the Chemicalize site
Advertisement
Spotlight