1,3,5-Triisopropylbenzene
CC(C)c1cc(cc(c1)C(C)C)C(C)C
InChI=1S/C15H24/c1-10(2)13-7-14(11(3)4)9-15(8-13)12(5)6/h7-12H,1-6H3
VUMCUSHVMYIRMB-UHFFFAOYSA-N
CSID:12329, http://www.chemspider.com/Chemical-Structure.12329.html (accessed 12:37, Apr 18, 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) = 6.36 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 251.02 (Adapted Stein & Brown method) Melting Pt (deg C): 12.51 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.0514 (Mean VP of Antoine & Grain methods) MP (exp database): -7.4 deg C BP (exp database): 238 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 0.1536 log Kow used: 6.36 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.2624 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.96E-002 atm-m3/mole Group Method: 6.43E-002 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 8.998E-002 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.36 (KowWin est) Log Kaw used: 0.209 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 6.151 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8143 Biowin2 (Non-Linear Model) : 0.8627 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.5230 (weeks-months) Biowin4 (Primary Survey Model) : 3.3473 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1020 Biowin6 (MITI Non-Linear Model): 0.1082 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.1717 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 1.7658 BioHC Half-Life (days) : 58.3168 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 6.55 Pa (0.0491 mm Hg) Log Koa (Koawin est ): 6.151 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 4.58E-007 Octanol/air (Koa) model: 3.48E-007 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.66E-005 Mackay model : 3.67E-005 Octanol/air (Koa) model: 2.78E-005 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 32.8612 E-12 cm3/molecule-sec Half-Life = 0.325 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.906 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 2.66E-005 (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 = 4.198 (BCF = 1.578e+004) log Kow used: 6.36 (estimated) Volatilization from Water: Henry LC: 0.0643 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 1.472 hours Half-Life from Model Lake : 135.9 hours (5.663 days) Removal In Wastewater Treatment (recommended maximum 95%): Total removal: 95.50 percent Total biodegradation: 0.57 percent Total sludge adsorption: 81.20 percent Total to Air: 13.73 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.175 7.81 1000 Water 2.77 900 1000 Soil 35.6 1.8e+003 1000 Sediment 61.5 8.1e+003 0 Persistence Time: 2.36e+003 hr
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