4,4,6a,8a,11,11,12b,14b-Octamethyl-1,2,3,4,4a,5,6,6a,8,8a,9,10,11,12,12a,12b,13,14,14a,14b-icosahydropicene
CC1(CCC2(CC=C3C4(CCC5C(CCCC5(C4CCC3(C2C1)C)C)(C)C)C)C)C
InChI=1S/C30H50/c1-25(2)18-19-27(5)15-10-22-29(7)16-11-21-26(3,4)13-9-14-28(21,6)23(29)12-17-30(22,8)24(27)20-25/h10,21,23-24H,9,11-20H2,1-8H3
YZXXDCMEYOSCRT-UHFFFAOYSA-N
CSID:529781, http://www.chemspider.com/Chemical-Structure.529781.html (accessed 05:23, Apr 20, 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) = 10.73 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 418.11 (Adapted Stein & Brown method) Melting Pt (deg C): 174.34 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.12E-007 (Modified Grain method) Subcooled liquid VP: 7.49E-006 mm Hg (25 deg C, Mod-Grain method) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 5.239e-007 log Kow used: 10.73 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1.2927e-005 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.65E+000 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.187E-001 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 10.73 (KowWin est) Log Kaw used: 2.035 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 8.695 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.5516 Biowin2 (Non-Linear Model) : 0.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.0188 (recalcitrant) Biowin4 (Primary Survey Model) : 2.3345 (weeks-months) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1597 Biowin6 (MITI Non-Linear Model): 0.0106 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -3.0812 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 2.3010 BioHC Half-Life (days) : 199.9787 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 0.000999 Pa (7.49E-006 mm Hg) Log Koa (Koawin est ): 8.695 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.003 Octanol/air (Koa) model: 0.000122 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0979 Mackay model : 0.194 Octanol/air (Koa) model: 0.00964 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 114.3478 E-12 cm3/molecule-sec Half-Life = 0.094 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.122 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 1.137500 E-17 cm3/molecule-sec Half-Life = 1.007 Days (at 7E11 mol/cm3) Half-Life = 24.179 Hrs Fraction sorbed to airborne particulates (phi): 0.146 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 8.822E+007 Log Koc: 7.946 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 = 0.500 (BCF = 3.162) log Kow used: 10.73 (estimated) Volatilization from Water: Henry LC: 2.65 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.069 hours Half-Life from Model Lake : 192.5 hours (8.021 days) Removal In Wastewater Treatment: Total removal: 94.04 percent Total biodegradation: 0.78 percent Total sludge adsorption: 93.23 percent Total to Air: 0.04 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.00891 2.05 1000 Water 0.749 4.32e+003 1000 Soil 39.3 8.64e+003 1000 Sediment 59.9 3.89e+004 0 Persistence Time: 1.07e+004 hr
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