## 1,2-naphthoquinone-2-diazo-5-sulfonyl chloride C_{10}H_{5}ClN_{2}O_{3}S structure

_{10}H

_{5}ClN

_{2}O

_{3}S structure

Molecular Formula | C_{10}H_{5}ClN_{2}O_{3}S |

Average mass | 268.676 Da |

Density | |

Boiling Point | |

Flash Point | |

Molar Refractivity | |

Polarizability | |

Surface Tension | |

Molar Volume |

- Miscellaneous

**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: | 5 |

#H bond donors: | 1 |

#Freely Rotating Bonds: | 2 |

#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) = 4.00 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 597.30 (Adapted Stein & Brown method) Melting Pt (deg C): 258.05 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.97E-014 (Modified Grain method) Subcooled liquid VP: 6.91E-012 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): 7.038 log Kow used: 4.00 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 15888 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Diazoniums Phenols Acid Chloride/Halide Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 9.22E-012 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 9.932E-016 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.00 (KowWin est) Log Kaw used: -9.424 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 13.424 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5012 Biowin2 (Non-Linear Model) : 0.1395 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.5246 (weeks-months) Biowin4 (Primary Survey Model) : 3.3900 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.1518 Biowin6 (MITI Non-Linear Model): 0.0058 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.2759 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): 9.21E-010 Pa (6.91E-012 mm Hg) Log Koa (Koawin est ): 13.424 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.26E+003 Octanol/air (Koa) model: 6.52 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1 Mackay model : 1 Octanol/air (Koa) model: 0.998 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 150.7951 E-12 cm3/molecule-sec Half-Life = 0.071 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.851 Hrs Ozone Reaction: No Ozone Reaction Estimation Reaction With Nitrate Radicals May Be Important! Fraction sorbed to airborne particulates (phi): 1 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 4606 Log Koc: 3.663 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 = 2.380 (BCF = 239.9) log Kow used: 4.00 (estimated) Volatilization from Water: Henry LC: 9.22E-012 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.043E+008 hours (4.345E+006 days) Half-Life from Model Lake : 1.138E+009 hours (4.74E+007 days) Removal In Wastewater Treatment: Total removal: 30.06 percent Total biodegradation: 0.32 percent Total sludge adsorption: 29.74 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 0.0648 1.7 1000 Water 16.4 900 1000 Soil 79.6 1.8e+003 1000 Sediment 3.87 8.1e+003 0 Persistence Time: 1.15e+003 hr

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