## trityl cation C_{19}H_{15} structure

Molecular Formula | C_{19}H_{15} |

Average mass | 243.322 Da |

Density | |

Boiling Point | |

Flash Point | |

Molar Refractivity | |

Polarizability | |

Surface Tension | |

Molar Volume |

**Predicted data is generated using the ACD/Labs Percepta Platform – PhysChem Module**

Density: | |

Boiling Point: | |

Vapour Pressure: | |

Enthalpy of Vaporization: | |

Flash Point: | |

Index of Refraction: | |

Molar Refractivity: | |

#H bond acceptors: | 0 |

#H bond donors: | 0 |

#Freely Rotating Bonds: | 3 |

#Rule of 5 Violations: |

**Predicted data is generated using the US Environmental Protection Agency’s EPISuite™**

Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 5.37 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 359.41 (Adapted Stein & Brown method) Melting Pt (deg C): 95.59 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.73E-005 (Modified Grain method) MP (exp database): 94 deg C BP (exp database): 359 deg C VP (exp database): 5.58E-06 mm Hg at 25 deg C Subcooled liquid VP: 2.69E-005 mm Hg (25 deg C, exp database VP ) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 0.6639 log Kow used: 5.37 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.02824 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.87E-005 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 8.378E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.37 (KowWin est) Log Kaw used: -2.801 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 8.171 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.0702 Biowin2 (Non-Linear Model) : 0.9960 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.6504 (weeks-months) Biowin4 (Primary Survey Model) : 3.4414 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0987 Biowin6 (MITI Non-Linear Model): 0.0785 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.0222 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 1.4727 BioHC Half-Life (days) : 29.6987 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 0.00359 Pa (2.69E-005 mm Hg) Log Koa (Koawin est ): 8.171 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000836 Octanol/air (Koa) model: 3.64E-005 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0293 Mackay model : 0.0627 Octanol/air (Koa) model: 0.0029 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 15.8178 E-12 cm3/molecule-sec Half-Life = 0.676 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 8.114 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.046 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 4.445E+005 Log Koc: 5.648 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 = 3.432 (BCF = 2706) log Kow used: 5.37 (estimated) Volatilization from Water: Henry LC: 3.87E-005 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 25.24 hours (1.052 days) Half-Life from Model Lake : 406.5 hours (16.94 days) Removal In Wastewater Treatment: Total removal: 86.45 percent Total biodegradation: 0.73 percent Total sludge adsorption: 85.55 percent Total to Air: 0.17 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.42 16.2 1000 Water 7.87 900 1000 Soil 52.7 1.8e+003 1000 Sediment 39 8.1e+003 0 Persistence Time: 1.65e+003 hr

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