Try beta.chemspider
2-(2-Isopropyl-5-methylcyclohexyl)-1,3-bis(1-phenylethyl)-1,3,2-diazaphospholidine
CC1CCC(C(C1)P2N(CCN2C(C)c3ccccc3)C(C)c4ccccc4)C(C)C
InChI=1S/C28H41N2P/c1-21(2)27-17-16-22(3)20-28(27)31-29(23(4)25-12-8-6-9-13-25)18-19-30(31)24(5)26-14-10-7-11-15-26/h6-15,21-24,27-28H,16-20H2,1-5H3
DSAARJJNQDEHQF-UHFFFAOYSA-N
CSID:544376, http://www.chemspider.com/Chemical-Structure.544376.html (accessed 05:57, Apr 25, 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) = 9.74 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 487.18 (Adapted Stein & Brown method) Melting Pt (deg C): 199.74 (Mean or Weighted MP) VP(mm Hg,25 deg C): 8.3E-010 (Modified Grain method) Subcooled liquid VP: 5.78E-008 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): 8.632e-006 log Kow used: 9.74 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 8.6851e-006 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.44E-009 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 5.524E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 9.74 (KowWin est) Log Kaw used: -7.230 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 16.970 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7959 Biowin2 (Non-Linear Model) : 0.6003 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.2783 (weeks-months) Biowin4 (Primary Survey Model) : 3.2276 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.4368 Biowin6 (MITI Non-Linear Model): 0.0005 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.6611 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 7.71E-006 Pa (5.78E-008 mm Hg) Log Koa (Koawin est ): 16.970 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.389 Octanol/air (Koa) model: 2.29E+004 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.934 Mackay model : 0.969 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 75.9533 E-12 cm3/molecule-sec Half-Life = 0.141 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.690 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.951 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.219E+008 Log Koc: 8.086 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 = 1.051 (BCF = 11.24) log Kow used: 9.74 (estimated) Volatilization from Water: Henry LC: 1.44E-009 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 8.496E+005 hours (3.54E+004 days) Half-Life from Model Lake : 9.268E+006 hours (3.862E+005 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 0.03 3.38 1000 Water 1.78 900 1000 Soil 32.8 1.8e+003 1000 Sediment 65.4 8.1e+003 0 Persistence Time: 3.43e+003 hr
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