Try beta.chemspider
(6R,10S,15R,19S)-2,6,10,15,19,23-Hexamethyltetracosane
C[C@H](CCCC[C@H](C)CCC[C@H](C)CCCC(C)C)CCC[C@@H](C)CCCC(C)C
InChI=1S/C30H62/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h25-30H,9-24H2,1-8H3
PRAKJMSDJKAYCZ-UHFFFAOYSA-N
CSID:21235178, http://www.chemspider.com/Chemical-Structure.21235178.html (accessed 01:44, Apr 27, 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) = 14.63 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 408.49 (Adapted Stein & Brown method) Melting Pt (deg C): 74.73 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.000275 (Modified Grain method) MP (exp database): -38 deg C BP (exp database): 350 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 2.042e-010 log Kow used: 14.63 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 4.2283e-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 : 1.53E+003 atm-m3/mole Group Method: 2.03E+004 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 7.493E+005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 14.63 (KowWin est) Log Kaw used: 4.796 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 9.834 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5462 Biowin2 (Non-Linear Model) : 0.0476 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.2648 (weeks-months) Biowin4 (Primary Survey Model) : 3.2377 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.0559 Biowin6 (MITI Non-Linear Model): 0.0372 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.3798 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 2.5230 BioHC Half-Life (days) : 333.4541 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 0.0367 Pa (0.000275 mm Hg) Log Koa (Koawin est ): 9.834 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 8.18E-005 Octanol/air (Koa) model: 0.00167 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00295 Mackay model : 0.0065 Octanol/air (Koa) model: 0.118 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 40.4595 E-12 cm3/molecule-sec Half-Life = 0.264 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.172 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.00472 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.494E+008 Log Koc: 8.174 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: 14.63 (estimated) Volatilization from Water: Henry LC: 1.53E+003 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.098 hours Half-Life from Model Lake : 195.3 hours (8.138 days) Removal In Wastewater Treatment: Total removal: 94.04 percent Total biodegradation: 0.78 percent Total sludge adsorption: 93.25 percent Total to Air: 0.00 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.0902 6.35 1000 Water 1.9 900 1000 Soil 27.9 1.8e+003 1000 Sediment 70.1 8.1e+003 0 Persistence Time: 3.1e+003 hr
Click to predict properties on the Chemicalize site
Advertisement
Spotlight