Try beta.chemspider
1,1,4a,8,10a,10b-Hexamethyl-8-(4-methylpentyl)octadecahydrochrysene
CC(C)CCCC1(CCC2(C(C1)CCC3C2(CCC4C3(CCCC4(C)C)C)C)C)C
InChI=1S/C30H54/c1-22(2)11-9-16-27(5)19-20-29(7)23(21-27)12-13-25-28(6)17-10-15-26(3,4)24(28)14-18-30(25,29)8/h22-25H,9-21H2,1-8H3
MDHNGUIZZLNVNV-UHFFFAOYSA-N
CSID:526393, http://www.chemspider.com/Chemical-Structure.526393.html (accessed 09:14, May 4, 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) = 11.72 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 413.67 (Adapted Stein & Brown method) Melting Pt (deg C): 160.88 (Mean or Weighted MP) VP(mm Hg,25 deg C): 3.83E-007 (Modified Grain method) Subcooled liquid VP: 9.5E-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): 7.017e-008 log Kow used: 11.72 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 4.1477e-007 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.96E+001 atm-m3/mole Group Method: 6.14E+000 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 2.979E+000 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 11.72 (KowWin est) Log Kaw used: 2.904 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 8.816 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.3696 Biowin2 (Non-Linear Model) : 0.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.2220 (recalcitrant) Biowin4 (Primary Survey Model) : 2.4821 (weeks-months) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1518 Biowin6 (MITI Non-Linear Model): 0.0158 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -2.6413 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 2.5046 BioHC Half-Life (days) : 319.6041 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 0.00127 Pa (9.5E-006 mm Hg) Log Koa (Koawin est ): 8.816 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00237 Octanol/air (Koa) model: 0.000161 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0788 Mackay model : 0.159 Octanol/air (Koa) model: 0.0127 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 32.9243 E-12 cm3/molecule-sec Half-Life = 0.325 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.898 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.119 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 9.89E+007 Log Koc: 7.995 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: 11.72 (estimated) Volatilization from Water: Henry LC: 19.6 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.078 hours Half-Life from Model Lake : 193.4 hours (8.06 days) Removal In Wastewater Treatment: Total removal: 94.04 percent Total biodegradation: 0.78 percent Total sludge adsorption: 93.23 percent Total to Air: 0.03 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.0305 7.8 1000 Water 0.745 4.32e+003 1000 Soil 39.7 8.64e+003 1000 Sediment 59.6 3.89e+004 0 Persistence Time: 1.07e+004 hr
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