1-Isopropyl-4-methylbenzene
Cc1ccc(cc1)C(C)C
InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3
HFPZCAJZSCWRBC-UHFFFAOYSA-N
CSID:7183, http://www.chemspider.com/Chemical-Structure.7183.html (accessed 04:02, 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) = 4.00 Log Kow (Exper. database match) = 4.10 Exper. Ref: Hansch,C et al. (1995) Log Kow (Exper. database match) = 4.10 Exper. Ref: Hansch,C et al. (1995) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 178.34 (Adapted Stein & Brown method) Melting Pt (deg C): -28.15 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.14 (Mean VP of Antoine & Grain methods) MP (exp database): -68 deg C BP (exp database): 176.5 deg C VP (exp database): 1.64E+00 mm Hg at 25 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 27.88 log Kow used: 4.10 (expkow database) no-melting pt equation used Water Sol (Exper. database match) = 23.4 mg/L (25 deg C) Exper. Ref: BANERJEE,S ET AL (1980) Water Sol (Exper. database match) = 23.4 mg/L (25 deg C) Exper. Ref: SUNTIO,LR ET AL. (1988A) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 28.93 mg/L Wat Sol (Exper. database match) = 23.40 Exper. Ref: BANERJEE,S ET AL (1980) Wat Sol (Exper. database match) = 23.40 Exper. Ref: SUNTIO,LR ET AL. (1988A) ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.16E-002 atm-m3/mole Group Method: 1.31E-002 atm-m3/mole Exper Database: 1.10E-02 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 7.221E-003 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.10 (exp database) Log Kaw used: -0.295 (exp database) Log Koa (KOAWIN v1.10 estimate): 4.395 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7930 Biowin2 (Non-Linear Model) : 0.9052 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7529 (weeks ) Biowin4 (Primary Survey Model) : 3.5170 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3782 Biowin6 (MITI Non-Linear Model): 0.4353 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.1579 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 1.0220 BioHC Half-Life (days) : 10.5190 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 219 Pa (1.64 mm Hg) Log Koa (Koawin est ): 4.395 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.37E-008 Octanol/air (Koa) model: 6.1E-009 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 4.96E-007 Mackay model : 1.1E-006 Octanol/air (Koa) model: 4.88E-007 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 8.5360 E-12 cm3/molecule-sec Half-Life = 1.253 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 15.036 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 7.97E-007 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1324 Log Koc: 3.122 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 = 2.457 (BCF = 286.4) log Kow used: 4.10 (expkow database) Volatilization from Water: Henry LC: 0.011 atm-m3/mole (Henry experimental database) Half-Life from Model River: 1.244 hours Half-Life from Model Lake : 110.7 hours (4.613 days) Removal In Wastewater Treatment: Total removal: 84.87 percent Total biodegradation: 0.14 percent Total sludge adsorption: 23.37 percent Total to Air: 61.36 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 3.38 17 1000 Water 18.5 360 1000 Soil 75.2 720 1000 Sediment 2.93 3.24e+003 0 Persistence Time: 335 hr
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