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Search term: MF = 'C_{5}H_{2}Cl_{2}IN'
ChemSpider 2D Image | 2,3-DICHLORO-5-IODOPYRIDINE | C5H2Cl2IN

2,3-DICHLORO-5-IODOPYRIDINE

  • Molecular FormulaC5H2Cl2IN
  • Average mass273.887 Da
  • Monoisotopic mass272.860901 Da
  • ChemSpider ID10641450

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

2,3-Dichlor-5-iodpyridin [German] [ACD/IUPAC Name]
2,3-Dichloro-5-iodopyridine [French] [ACD/IUPAC Name]
2,3-DICHLORO-5-IODOPYRIDINE [ACD/IUPAC Name]
97966-01-3 [RN]
Pyridine, 2,3-dichloro-5-iodo- [ACD/Index Name]
"2,3-DICHLORO-5-IODOPYRIDINE"
[97966-01-3] [RN]
2,3-Dichloro-5-iodo-pyridine
2,6-Dimethylthiophenol
5-Iodo-2,3-dichloropyridine
More...

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 2.1±0.1 g/cm3
    Boiling Point: 276.8±35.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.5 mmHg at 25°C
    Enthalpy of Vaporization: 49.5±3.0 kJ/mol
    Flash Point: 121.2±25.9 °C
    Index of Refraction: 1.652
    Molar Refractivity: 47.0±0.3 cm3
    #H bond acceptors: 1
    #H bond donors: 0
    #Freely Rotating Bonds: 0
    #Rule of 5 Violations: 0
    ACD/LogP: 2.66
    ACD/LogD (pH 5.5): 3.07
    ACD/BCF (pH 5.5): 126.86
    ACD/KOC (pH 5.5): 1114.74
    ACD/LogD (pH 7.4): 3.07
    ACD/BCF (pH 7.4): 126.86
    ACD/KOC (pH 7.4): 1114.74
    Polar Surface Area: 13 Å2
    Polarizability: 18.6±0.5 10-24cm3
    Surface Tension: 54.0±3.0 dyne/cm
    Molar Volume: 128.6±3.0 cm3

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

                            
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  3.26

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  263.31  (Adapted Stein & Brown method)
    Melting Pt (deg C):  64.68  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.00569  (Modified Grain method)
    Subcooled liquid VP: 0.0134 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):  28.51
       log Kow used: 3.26 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  247.84 mg/L

 ECOSAR Class Program (ECOSAR v0.99h):
    Class(es) found:
       Neutral Organics

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   5.66E-005  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  7.192E-005 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.26  (KowWin est)
  Log Kaw used:  -2.636  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.896
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :  -0.6609
   Biowin2 (Non-Linear Model)     :   0.0000
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   1.9216  (months      )
   Biowin4 (Primary Survey Model) :   2.9761  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.4914
   Biowin6 (MITI Non-Linear Model):   0.0000
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.4817
 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):  1.79 Pa (0.0134 mm Hg)
  Log Koa (Koawin est  ): 5.896
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.68E-006 
       Octanol/air (Koa) model:  1.93E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  6.06E-005 
       Mackay model           :  0.000134 
       Octanol/air (Koa) model:  1.55E-005 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   0.0501 E-12 cm3/molecule-sec
      Half-Life =   213.472 Days (12-hr day; 1.5E6 OH/cm3)
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 9.75E-005 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  143.1
      Log Koc:  2.156 

 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 = 1.811 (BCF = 64.68)
       log Kow used: 3.26 (estimated)

 Volatilization from Water:
    Henry LC:  5.66E-005 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      18.81  hours
    Half-Life from Model Lake :      343.9  hours   (14.33 days)

 Removal In Wastewater Treatment:
    Total removal:              11.20  percent
    Total biodegradation:        0.14  percent
    Total sludge adsorption:     8.34  percent
    Total to Air:                2.72  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       2.8             5.12e+003    1000       
   Water     12.7            1.44e+003    1000       
   Soil      83.9            2.88e+003    1000       
   Sediment  0.597           1.3e+004     0          
     Persistence Time: 1.48e+003 hr

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