## Chromenium C_{9}H_{7}O structure

Molecular Formula | C_{9}H_{7}O |

Average mass | 131.151 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: | 1 |

#H bond donors: | 0 |

#Freely Rotating Bonds: | 0 |

#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) = 2.32 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 183.73 (Adapted Stein & Brown method) Melting Pt (deg C): -13.05 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.805 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 947 log Kow used: 2.32 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 48.519 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : Incomplete Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.467E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Can Not Estimate (can not calculate HenryLC) Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6851 Biowin2 (Non-Linear Model) : 0.7588 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.9093 (weeks ) Biowin4 (Primary Survey Model) : 3.6585 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3796 Biowin6 (MITI Non-Linear Model): 0.2989 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.3468 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): 97.6 Pa (0.732 mm Hg) Log Koa (): not available Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.07E-008 Octanol/air (Koa) model: not available Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.11E-006 Mackay model : 2.46E-006 Octanol/air (Koa) model: not available Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 60.1732 E-12 cm3/molecule-sec Ozone Reaction: OVERALL Ozone Rate Constant = 13.650000 E-17 cm3/molecule-sec Half-Life = 0.084 Days (at 7E11 mol/cm3) Half-Life = 2.015 Hrs Fraction sorbed to airborne particulates (phi): 1.78E-006 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1837 Log Koc: 3.264 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 = 1.088 (BCF = 12.24) log Kow used: 2.32 (estimated) Volatilization from Water: Henry LC: 0.000147 atm-m3/mole (calculated from VP/WS) Half-Life from Model River: 5.739 hours Half-Life from Model Lake : 158.6 hours (6.61 days) Removal In Wastewater Treatment: Total removal: 9.29 percent Total biodegradation: 0.09 percent Total sludge adsorption: 2.45 percent Total to Air: 6.74 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.276 1.37 1000 Water 27.2 360 1000 Soil 72.4 720 1000 Sediment 0.144 3.24e+003 0 Persistence Time: 343 hr

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