Try beta.chemspider
- Double-bond stereo
(6E,10E,12E,14E,18E)-2,6,10,15,19,23-Hexamethyl-2,6,10,12,14,18,22-tetracosaheptaene
CC(=CCC/C(=C/CC/C(=C/C=C/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)/C)/C)C
InChI=1S/C30H48/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/h9-10,15-18,23-24H,11-14,19-22H2,1-8H3/b10-9+,27-17+,28-18+,29-23+,30-24+
NXJJBCPAGHGVJC-MAYJZIKRSA-N
CSID:4526828, http://www.chemspider.com/Chemical-Structure.4526828.html (accessed 15:26, Apr 24, 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) = 13.91 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 456.47 (Adapted Stein & Brown method) Melting Pt (deg C): 54.96 (Mean or Weighted MP) VP(mm Hg,25 deg C): 4.95E-007 (Modified Grain method) Subcooled liquid VP: 9.37E-007 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): 1.044e-009 log Kow used: 13.91 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 7.7605e-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 : 1.99E+002 atm-m3/mole Group Method: 3.70E-001 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 2.550E+002 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 13.91 (KowWin est) Log Kaw used: 3.910 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 10.000 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5530 Biowin2 (Non-Linear Model) : 0.0576 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.2960 (weeks-months) Biowin4 (Primary Survey Model) : 3.2581 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.0557 Biowin6 (MITI Non-Linear Model): 0.0043 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.1808 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 0.1928 BioHC Half-Life (days) : 1.5589 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 0.000125 Pa (9.37E-007 mm Hg) Log Koa (Koawin est ): 10.000 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.024 Octanol/air (Koa) model: 0.00245 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.464 Mackay model : 0.658 Octanol/air (Koa) model: 0.164 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 593.2436 E-12 cm3/molecule-sec Half-Life = 0.018 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 12.981 Min Ozone Reaction: OVERALL Ozone Rate Constant = 213.616257 E-17 cm3/molecule-sec Half-Life = 0.005 Days (at 7E11 mol/cm3) Half-Life = 7.725 Min Reaction With Nitrate Radicals May Be Important! Fraction sorbed to airborne particulates (phi): 0.561 (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: 13.91 (estimated) Volatilization from Water: Henry LC: 0.37 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 2.066 hours Half-Life from Model Lake : 192.1 hours (8.002 days) Removal In Wastewater Treatment: Total removal: 94.04 percent Total biodegradation: 0.78 percent Total sludge adsorption: 93.26 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 0.00154 0.0992 1000 Water 1.9 900 1000 Soil 28 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